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

C10H13ClN6 — CID 55230468

IUPAC6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)c1nncn1C
InChIInChI=1S/C10H13ClN6/c1-6-8(11)12-4-13-9(6)15-7(2)10-16-14-5-17(10)3/h4-5,7H,1-3H3,(H,12,13,15)
InChIKeyZRXWVCZUDVFQMD-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.74
Rot. Bonds3

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

6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 55230468) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID55230468
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)c1nncn1C
InChIInChI=1S/C10H13ClN6/c1-6-8(11)12-4-13-9(6)15-7(2)10-16-14-5-17(10)3/h4-5,7H,1-3H3,(H,12,13,15)
InChIKeyZRXWVCZUDVFQMD-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 55230468) is 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1NC(C)c1nncn1C.
What is the InChIKey of 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ZRXWVCZUDVFQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-6-8(11)12-4-13-9(6)15-7(2)10-16-14-5-17(10)3/h4-5,7H,1-3H3,(H,12,13,15).
What are the key properties of 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 252.71 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 55230468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).