2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

C8H9ClN6 — CID 106193105

IUPAC2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ncn[nH]2)nc(Cl)n1
InChIInChI=1S/C8H9ClN6/c1-5-2-6(14-8(9)13-5)10-3-7-11-4-12-15-7/h2,4H,3H2,1H3,(H,10,13,14)(H,11,12,15)
InChIKeySRTKOIDOMQQAKM-UHFFFAOYSA-N
MW224.66 g/mol
LogP1.17
Rot. Bonds3

About 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106193105) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106193105
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ncn[nH]2)nc(Cl)n1
InChIInChI=1S/C8H9ClN6/c1-5-2-6(14-8(9)13-5)10-3-7-11-4-12-15-7/h2,4H,3H2,1H3,(H,10,13,14)(H,11,12,15)
InChIKeySRTKOIDOMQQAKM-UHFFFAOYSA-N
XLogP1.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (CID 106193105) is 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2ncn[nH]2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is SRTKOIDOMQQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c1-5-2-6(14-8(9)13-5)10-3-7-11-4-12-15-7/h2,4H,3H2,1H3,(H,10,13,14)(H,11,12,15).
What are the key properties of 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 224.66 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).