1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine

C87H87N15O11 — CID 159220615

IUPAC1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine
SMILESCC(=O)Cc1ccc(-c2ccc(C)o2)cc1.CC(=O)c1ncc(-c2ccc(C)o2)cn1.CC(=O)c1ncc(-c2ccc(C)o2)cn1.Cc1ccc(-c2cnc(-c3ccccc3)nc2)o1.Cc1ccc(-c2cnc(N3CCNCC3)nc2)o1.Cc1ccc(-c2cnc(N3CCOCC3)nc2)o1.Cc1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C15H12N2O.C14H14O2.C13H16N4O.C13H15N3O2.2C11H10N2O2.C10H10N2O/c1-11-7-8-14(18-11)13-9-16-15(17-10-13)12-5-3-2-4-6-12;1-10(15)9-12-4-6-13(7-5-12)14-8-3-11(2)16-14;1-10-2-3-12(18-10)11-8-15-13(16-9-11)17-6-4-14-5-7-17;1-10-2-3-12(18-10)11-8-14-13(15-9-11)16-4-6-17-7-5-16;2*1-7-3-4-10(15-7)9-5-12-11(8(2)14)13-6-9;1-7-3-4-10(13-7)9-5-11-8(2)12-6-9/h2-10H,1H3;3-8H,9H2,1-2H3;2-3,8-9,14H,4-7H2,1H3;2-3,8-9H,4-7H2,1H3;2*3-6H,1-2H3;3-6H,1-2H3
InChIKeyKRQBVDAWBGPJSO-UHFFFAOYSA-N
MW1518.75 g/mol
LogP17.28
Rot. Bonds14

About 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine

1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine (PubChem CID 159220615) has the molecular formula C87H87N15O11 and a molecular weight of 1518.75 g/mol. Its IUPAC name is 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine
PubChem CID159220615
Molecular FormulaC87H87N15O11
Molecular Weight1518.75 g/mol
Exact Mass1517.67
IUPAC Name1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine
SMILESCC(=O)Cc1ccc(-c2ccc(C)o2)cc1.CC(=O)c1ncc(-c2ccc(C)o2)cn1.CC(=O)c1ncc(-c2ccc(C)o2)cn1.Cc1ccc(-c2cnc(-c3ccccc3)nc2)o1.Cc1ccc(-c2cnc(N3CCNCC3)nc2)o1.Cc1ccc(-c2cnc(N3CCOCC3)nc2)o1.Cc1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C15H12N2O.C14H14O2.C13H16N4O.C13H15N3O2.2C11H10N2O2.C10H10N2O/c1-11-7-8-14(18-11)13-9-16-15(17-10-13)12-5-3-2-4-6-12;1-10(15)9-12-4-6-13(7-5-12)14-8-3-11(2)16-14;1-10-2-3-12(18-10)11-8-15-13(16-9-11)17-6-4-14-5-7-17;1-10-2-3-12(18-10)11-8-14-13(15-9-11)16-4-6-17-7-5-16;2*1-7-3-4-10(15-7)9-5-12-11(8(2)14)13-6-9;1-7-3-4-10(13-7)9-5-11-8(2)12-6-9/h2-10H,1H3;3-8H,9H2,1-2H3;2-3,8-9,14H,4-7H2,1H3;2-3,8-9H,4-7H2,1H3;2*3-6H,1-2H3;3-6H,1-2H3
InChIKeyKRQBVDAWBGPJSO-UHFFFAOYSA-N
XLogP17.28
TPSA325.61 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.75
LogP ≤ 517.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine with MolForge

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Related Compounds

(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen
CID 157485689
tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal
CID 158027160
4-N-benzyl-2-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazine-2,4-diamine;4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 158134890
bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal
CID 158326716
tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate;dichloromethane;ethoxyethane;bis([5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methanamine);hydrochloride
CID 158983628
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 160032691
(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 160458533
N-[4-[2-[4-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;4-[4-(furan-2-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-(4-morpholin-4-ylphenyl)-4-[4-(pyrimidin-2-ylamino)phenyl]pyrimidin-2-amine;N-[4-[2-[4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;N-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
CID 160550822
2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine
CID 162076790
5-(2-Cyclopropylpyrimidin-4-yl)-6-(furan-2-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-phenylpyrimidin-4-yl)pyrazin-2-amine;6-pyridin-2-yl-5-pyridin-4-ylpyrazin-2-amine;6-pyridin-3-yl-5-pyridin-4-ylpyrazin-2-amine
CID 173143307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine?
The IUPAC name of 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine (CID 159220615) is 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine is CC(=O)Cc1ccc(-c2ccc(C)o2)cc1.CC(=O)c1ncc(-c2ccc(C)o2)cn1.CC(=O)c1ncc(-c2ccc(C)o2)cn1.Cc1ccc(-c2cnc(-c3ccccc3)nc2)o1.Cc1ccc(-c2cnc(N3CCNCC3)nc2)o1.Cc1ccc(-c2cnc(N3CCOCC3)nc2)o1.Cc1ncc(-c2ccc(C)o2)cn1.
What is the InChIKey of 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine?
The InChIKey is KRQBVDAWBGPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C14H14O2.C13H16N4O.C13H15N3O2.2C11H10N2O2.C10H10N2O/c1-11-7-8-14(18-11)13-9-16-15(17-10-13)12-5-3-2-4-6-12;1-10(15)9-12-4-6-13(7-5-12)14-8-3-11(2)16-14;1-10-2-3-12(18-10)11-8-15-13(16-9-11)17-6-4-14-5-7-17;1-10-2-3-12(18-10)11-8-14-13(15-9-11)16-4-6-17-7-5-16;2*1-7-3-4-10(15-7)9-5-12-11(8(2)14)13-6-9;1-7-3-4-10(13-7)9-5-11-8(2)12-6-9/h2-10H,1H3;3-8H,9H2,1-2H3;2-3,8-9,14H,4-7H2,1H3;2-3,8-9H,4-7H2,1H3;2*3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine?
1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine has a molecular weight of 1518.75 g/mol, XLogP of 17.28, 14 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 159220615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).