6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine

C19H27N5 — CID 112855212

IUPAC6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(N3CCCCC3)cc2)ncn1
InChIInChI=1S/C19H27N5/c1-2-3-11-20-18-14-19(22-15-21-18)23-16-7-9-17(10-8-16)24-12-5-4-6-13-24/h7-10,14-15H,2-6,11-13H2,1H3,(H2,20,21,22,23)
InChIKeyOUTJXCHPEBXOEZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.42
Rot. Bonds7

About 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine

6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112855212) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112855212
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(N3CCCCC3)cc2)ncn1
InChIInChI=1S/C19H27N5/c1-2-3-11-20-18-14-19(22-15-21-18)23-16-7-9-17(10-8-16)24-12-5-4-6-13-24/h7-10,14-15H,2-6,11-13H2,1H3,(H2,20,21,22,23)
InChIKeyOUTJXCHPEBXOEZ-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 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-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

6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883114
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
2-N-butyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883113
6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112857855
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
6-N-[(4-methoxyphenyl)methyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112860298
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
4-N-(3,4-dimethoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866539
methyl 4-[[6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866839

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine (CID 112855212) is 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(N3CCCCC3)cc2)ncn1.
What is the InChIKey of 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is OUTJXCHPEBXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-2-3-11-20-18-14-19(22-15-21-18)23-16-7-9-17(10-8-16)24-12-5-4-6-13-24/h7-10,14-15H,2-6,11-13H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-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 6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).