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

C11H15ClN6 — CID 55230091

IUPAC6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCc2nncn2C)n1
InChIInChI=1S/C11H15ClN6/c1-7-10(12)15-8(2)16-11(7)13-5-4-9-17-14-6-18(9)3/h6H,4-5H2,1-3H3,(H,13,15,16)
InChIKeySDFWCJMDWFQDPS-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.53
Rot. Bonds4

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

6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 55230091) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID55230091
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCc2nncn2C)n1
InChIInChI=1S/C11H15ClN6/c1-7-10(12)15-8(2)16-11(7)13-5-4-9-17-14-6-18(9)3/h6H,4-5H2,1-3H3,(H,13,15,16)
InChIKeySDFWCJMDWFQDPS-UHFFFAOYSA-N
XLogP1.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.53
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-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 55230091) is 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCCc2nncn2C)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SDFWCJMDWFQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-7-10(12)15-8(2)16-11(7)13-5-4-9-17-14-6-18(9)3/h6H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 266.74 g/mol, XLogP of 1.53, 4 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-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 55230091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).