4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

C11H16N6 — CID 62117357

IUPAC4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H16N6/c1-7-5-8(2)14-11(13-7)15-9(3)10-16-12-6-17(10)4/h5-6,9H,1-4H3,(H,13,14,15)
InChIKeyBUSLPOCZSOSFQJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.40
Rot. Bonds3

About 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 62117357) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID62117357
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H16N6/c1-7-5-8(2)14-11(13-7)15-9(3)10-16-12-6-17(10)4/h5-6,9H,1-4H3,(H,13,14,15)
InChIKeyBUSLPOCZSOSFQJ-UHFFFAOYSA-N
XLogP1.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 62117357) is 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(NC(C)c2nncn2C)n1.
What is the InChIKey of 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is BUSLPOCZSOSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-5-8(2)14-11(13-7)15-9(3)10-16-12-6-17(10)4/h5-6,9H,1-4H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 62117357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).