4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine

C11H19N3 — CID 23423537

IUPAC4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCC(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(2)5-6-12-11-13-9(3)7-10(4)14-11/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyXWYPVSQNSJHVCO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.55
Rot. Bonds4

About 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine

4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 23423537) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID23423537
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCC(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(2)5-6-12-11-13-9(3)7-10(4)14-11/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyXWYPVSQNSJHVCO-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine (CID 23423537) is 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine is Cc1cc(C)nc(NCCC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is XWYPVSQNSJHVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)5-6-12-11-13-9(3)7-10(4)14-11/h7-8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine?
4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 23423537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).