5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine

C23H43N3 — CID 18735580

IUPAC5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
SMILESCCCCc1cnc(N(CCC(C)(C)C)C(CCCC)CCCC)nc1
InChIInChI=1S/C23H43N3/c1-7-10-13-20-18-24-22(25-19-20)26(17-16-23(4,5)6)21(14-11-8-2)15-12-9-3/h18-19,21H,7-17H2,1-6H3
InChIKeyKKCGBLHWGSMLRT-UHFFFAOYSA-N
MW361.62 g/mol
LogP6.81
Rot. Bonds13

About 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine

5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine (PubChem CID 18735580) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
PubChem CID18735580
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
SMILESCCCCc1cnc(N(CCC(C)(C)C)C(CCCC)CCCC)nc1
InChIInChI=1S/C23H43N3/c1-7-10-13-20-18-24-22(25-19-20)26(17-16-23(4,5)6)21(14-11-8-2)15-12-9-3/h18-19,21H,7-17H2,1-6H3
InChIKeyKKCGBLHWGSMLRT-UHFFFAOYSA-N
XLogP6.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.62
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine 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

N-(3,3-dimethylbutyl)-N-heptan-2-yl-5-propylpyrimidin-2-amine
CID 18735804
N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine
CID 18736096
N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine
CID 18735571
N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875
N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane
CID 142120271
N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide
CID 71107508
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine
CID 18735789
5-butyl-N-methylpyridin-2-amine
CID 139696772
N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 113388169
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
The IUPAC name of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine (CID 18735580) is 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine.
What is the SMILES notation for 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
The canonical SMILES for 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine is CCCCc1cnc(N(CCC(C)(C)C)C(CCCC)CCCC)nc1.
What is the InChIKey of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
The InChIKey is KKCGBLHWGSMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-7-10-13-20-18-24-22(25-19-20)26(17-16-23(4,5)6)21(14-11-8-2)15-12-9-3/h18-19,21H,7-17H2,1-6H3.
What are the key properties of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine has a molecular weight of 361.62 g/mol, XLogP of 6.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine is sourced from PubChem (CID 18735580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).