6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine

C16H28N4 — CID 112867907

IUPAC6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C16H28N4/c1-3-4-11-17-15-12-16(19-13(2)18-15)20-14-9-7-5-6-8-10-14/h12,14H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyHCBVEIMKFKZXDT-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.13
Rot. Bonds6

About 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine

6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112867907) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
PubChem CID112867907
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C16H28N4/c1-3-4-11-17-15-12-16(19-13(2)18-15)20-14-9-7-5-6-8-10-14/h12,14H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyHCBVEIMKFKZXDT-UHFFFAOYSA-N
XLogP4.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-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

4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80846025

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine (CID 112867907) is 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine is CCCCNc1cc(NC2CCCCCC2)nc(C)n1.
What is the InChIKey of 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is HCBVEIMKFKZXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-4-11-17-15-12-16(19-13(2)18-15)20-14-9-7-5-6-8-10-14/h12,14H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).