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

C19H27N5 — CID 112883114

IUPAC2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nccc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-2-3-12-20-19-21-13-11-18(23-19)22-16-7-9-17(10-8-16)24-14-5-4-6-15-24/h7-11,13H,2-6,12,14-15H2,1H3,(H2,20,21,22,23)
InChIKeyODVSPJVGOMGTNU-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.42
Rot. Bonds7

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

2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112883114) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112883114
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nccc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-2-3-12-20-19-21-13-11-18(23-19)22-16-7-9-17(10-8-16)24-14-5-4-6-15-24/h7-11,13H,2-6,12,14-15H2,1H3,(H2,20,21,22,23)
InChIKeyODVSPJVGOMGTNU-UHFFFAOYSA-N
XLogP4.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-butyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883113
2-N-[3-(dimethylamino)propyl]-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112887862
2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
4-N-(4-piperidin-1-ylphenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893631
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
2-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112887864
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (CID 112883114) is 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is CCCCNc1nccc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ODVSPJVGOMGTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-2-3-12-20-19-21-13-11-18(23-19)22-16-7-9-17(10-8-16)24-14-5-4-6-15-24/h7-11,13H,2-6,12,14-15H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).