[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

C22H23N5O2 — CID 112932981

IUPAC[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(NC3CC3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(19-7-4-14-29-19)26-10-12-27(13-11-26)22-24-18(16-5-2-1-3-6-16)15-20(25-22)23-17-8-9-17/h1-7,14-15,17H,8-13H2,(H,23,24,25)
InChIKeyBWBPXHUJWKNBHC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.27
Rot. Bonds5

About [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 112932981) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID112932981
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(NC3CC3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(19-7-4-14-29-19)26-10-12-27(13-11-26)22-24-18(16-5-2-1-3-6-16)15-20(25-22)23-17-8-9-17/h1-7,14-15,17H,8-13H2,(H,23,24,25)
InChIKeyBWBPXHUJWKNBHC-UHFFFAOYSA-N
XLogP3.27
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817
[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427
[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 23589138
[4-[(6-chloro-5-ethyl-2-phenylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133388434
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112936718

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 112932981) is [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc(NC3CC3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BWBPXHUJWKNBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(19-7-4-14-29-19)26-10-12-27(13-11-26)22-24-18(16-5-2-1-3-6-16)15-20(25-22)23-17-8-9-17/h1-7,14-15,17H,8-13H2,(H,23,24,25).
What are the key properties of [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 112932981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).