2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine

C24H27N5 — CID 112933212

IUPAC2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(Nc3ccc(N4CCCCC4)cc3)nc(NC3CC3)n2)cc1
InChIInChI=1S/C24H27N5/c1-3-7-18(8-4-1)22-17-23(28-24(27-22)26-20-9-10-20)25-19-11-13-21(14-12-19)29-15-5-2-6-16-29/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H2,25,26,27,28)
InChIKeyFCGXYFWWDUAHLY-UHFFFAOYSA-N
MW385.52 g/mol
LogP5.45
Rot. Bonds6

About 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine

2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112933212) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112933212
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(Nc3ccc(N4CCCCC4)cc3)nc(NC3CC3)n2)cc1
InChIInChI=1S/C24H27N5/c1-3-7-18(8-4-1)22-17-23(28-24(27-22)26-20-9-10-20)25-19-11-13-21(14-12-19)29-15-5-2-6-16-29/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H2,25,26,27,28)
InChIKeyFCGXYFWWDUAHLY-UHFFFAOYSA-N
XLogP5.45
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930
2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112933194
N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112934438
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934626
2-N-benzyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112915742
4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407
N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112934396
2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112933219
2-phenyl-6-N-propyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112879269
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
4-[(6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934337

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (CID 112933212) is 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is c1ccc(-c2cc(Nc3ccc(N4CCCCC4)cc3)nc(NC3CC3)n2)cc1.
What is the InChIKey of 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FCGXYFWWDUAHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-7-18(8-4-1)22-17-23(28-24(27-22)26-20-9-10-20)25-19-11-13-21(14-12-19)29-15-5-2-6-16-29/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2,(H2,25,26,27,28).
What are the key properties of 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 385.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112933212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).