2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine

C9H12N6 — CID 140610340

IUPAC2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2cnn(C)n2)n1
InChIInChI=1S/C9H12N6/c1-7-10-4-3-9(13-7)11-5-8-6-12-15(2)14-8/h3-4,6H,5H2,1-2H3,(H,10,11,13)
InChIKeyKRXPANRRASHERT-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.53
Rot. Bonds3

About 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine

2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 140610340) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID140610340
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2cnn(C)n2)n1
InChIInChI=1S/C9H12N6/c1-7-10-4-3-9(13-7)11-5-8-6-12-15(2)14-8/h3-4,6H,5H2,1-2H3,(H,10,11,13)
InChIKeyKRXPANRRASHERT-UHFFFAOYSA-N
XLogP0.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine (CID 140610340) is 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine is Cc1nccc(NCc2cnn(C)n2)n1.
What is the InChIKey of 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is KRXPANRRASHERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-7-10-4-3-9(13-7)11-5-8-6-12-15(2)14-8/h3-4,6H,5H2,1-2H3,(H,10,11,13).
What are the key properties of 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 204.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 140610340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).