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

C15H19N5 — CID 116796160

IUPAC2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C15H19N5/c16-14-8-9-17-15(19-14)18-12-4-6-13(7-5-12)20-10-2-1-3-11-20/h4-9H,1-3,10-11H2,(H3,16,17,18,19)
InChIKeyLSDPEQUFYVZTSS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.79
Rot. Bonds3

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

2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 116796160) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
PubChem CID116796160
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C15H19N5/c16-14-8-9-17-15(19-14)18-12-4-6-13(7-5-12)20-10-2-1-3-11-20/h4-9H,1-3,10-11H2,(H3,16,17,18,19)
InChIKeyLSDPEQUFYVZTSS-UHFFFAOYSA-N
XLogP2.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.79
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-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
azepan-1-yl-[2-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109313350
2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075
4-N-(2-chlorophenyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112903597
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109300656
2-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrimidine-2,4-diamine
CID 175860154
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (CID 116796160) is 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LSDPEQUFYVZTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-14-8-9-17-15(19-14)18-12-4-6-13(7-5-12)20-10-2-1-3-11-20/h4-9H,1-3,10-11H2,(H3,16,17,18,19).
What are the key properties of 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).