N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide

C23H25N5O — CID 112934396

IUPACN-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(NC3CCCC3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-16(29)24-19-11-13-20(14-12-19)26-23-27-21(17-7-3-2-4-8-17)15-22(28-23)25-18-9-5-6-10-18/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyPZXJMZNIOGOPDN-UHFFFAOYSA-N
MW387.49 g/mol
LogP5.20
Rot. Bonds6

About N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112934396) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112934396
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(NC3CCCC3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-16(29)24-19-11-13-20(14-12-19)26-23-27-21(17-7-3-2-4-8-17)15-22(28-23)25-18-9-5-6-10-18/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyPZXJMZNIOGOPDN-UHFFFAOYSA-N
XLogP5.20
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407
1-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carbonitrile
CID 46182828
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
1-[4-[[4-phenyl-6-(propan-2-ylamino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112932746
N-[4-[[2-(butan-2-ylamino)-6-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112934051
N-[4-[[2-[[(2S)-butan-2-yl]amino]-6-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 124748906
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112933059
1-[4-[[4-[[(E)-but-2-en-2-yl]amino]-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid
CID 173482216
4-N-cyclopentyl-2-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934370

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide (CID 112934396) is N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(NC3CCCC3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is PZXJMZNIOGOPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16(29)24-19-11-13-20(14-12-19)26-23-27-21(17-7-3-2-4-8-17)15-22(28-23)25-18-9-5-6-10-18/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112934396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).