6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C10H13ClN6 — CID 63728343

IUPAC6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2nncn2C)n1
InChIInChI=1S/C10H13ClN6/c1-6-9(11)14-7(2)15-10(6)12-4-8-16-13-5-17(8)3/h5H,4H2,1-3H3,(H,12,14,15)
InChIKeyGOTQIVVFSJNQLV-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.49
Rot. Bonds3

About 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 63728343) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID63728343
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2nncn2C)n1
InChIInChI=1S/C10H13ClN6/c1-6-9(11)14-7(2)15-10(6)12-4-8-16-13-5-17(8)3/h5H,4H2,1-3H3,(H,12,14,15)
InChIKeyGOTQIVVFSJNQLV-UHFFFAOYSA-N
XLogP1.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 63728343) is 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCc2nncn2C)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is GOTQIVVFSJNQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-6-9(11)14-7(2)15-10(6)12-4-8-16-13-5-17(8)3/h5H,4H2,1-3H3,(H,12,14,15).
What are the key properties of 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 252.71 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63728343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).