2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine

C13H23N3 — CID 63925499

IUPAC2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC(C)CCC(C)C)nc(C)n1
InChIInChI=1S/C13H23N3/c1-9(2)6-7-10(3)15-13-8-11(4)14-12(5)16-13/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCCBKVZTUZLEEEQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.33
Rot. Bonds5

About 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine

2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine (PubChem CID 63925499) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine
PubChem CID63925499
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC(C)CCC(C)C)nc(C)n1
InChIInChI=1S/C13H23N3/c1-9(2)6-7-10(3)15-13-8-11(4)14-12(5)16-13/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCCBKVZTUZLEEEQ-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-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 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine (CID 63925499) is 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine is Cc1cc(NC(C)CCC(C)C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine?
The InChIKey is CCBKVZTUZLEEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)6-7-10(3)15-13-8-11(4)14-12(5)16-13/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine?
2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(5-methylhexan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).