6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

C21H23N5O3 — CID 109368044

IUPAC6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3/c1-15-23-18(13-20(24-15)22-14-16-5-4-10-29-16)21(27)25-17-6-2-3-7-19(17)26-8-11-28-12-9-26/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyBIPATPVFGSSKHB-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.08
Rot. Bonds6

About 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109368044) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109368044
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3/c1-15-23-18(13-20(24-15)22-14-16-5-4-10-29-16)21(27)25-17-6-2-3-7-19(17)26-8-11-28-12-9-26/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyBIPATPVFGSSKHB-UHFFFAOYSA-N
XLogP3.08
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367986
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
6-methyl-N-(2-morpholin-4-ylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109319018
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (CID 109368044) is 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is Cc1nc(NCc2ccco2)cc(C(=O)Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is BIPATPVFGSSKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-23-18(13-20(24-15)22-14-16-5-4-10-29-16)21(27)25-17-6-2-3-7-19(17)26-8-11-28-12-9-26/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109368044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).