N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine

C18H33N3 — CID 18735571

IUPACN-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine
SMILESCCCCc1ccnc(N(CCC(C)(C)C)C(C)CC)n1
InChIInChI=1S/C18H33N3/c1-7-9-10-16-11-13-19-17(20-16)21(15(3)8-2)14-12-18(4,5)6/h11,13,15H,7-10,12,14H2,1-6H3
InChIKeyOWQGOJAAWLJODG-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.86
Rot. Bonds8

About N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine

N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine (PubChem CID 18735571) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine
PubChem CID18735571
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine
SMILESCCCCc1ccnc(N(CCC(C)(C)C)C(C)CC)n1
InChIInChI=1S/C18H33N3/c1-7-9-10-16-11-13-19-17(20-16)21(15(3)8-2)14-12-18(4,5)6/h11,13,15H,7-10,12,14H2,1-6H3
InChIKeyOWQGOJAAWLJODG-UHFFFAOYSA-N
XLogP4.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine (CID 18735571) is N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine is CCCCc1ccnc(N(CCC(C)(C)C)C(C)CC)n1.
What is the InChIKey of N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine?
The InChIKey is OWQGOJAAWLJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-9-10-16-11-13-19-17(20-16)21(15(3)8-2)14-12-18(4,5)6/h11,13,15H,7-10,12,14H2,1-6H3.
What are the key properties of N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine?
N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 18735571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).