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

C11H15ClN6 — CID 63728506

IUPAC6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H15ClN6/c1-6-9(12)15-8(3)16-10(6)14-7(2)11-17-13-5-18(11)4/h5,7H,1-4H3,(H,14,15,16)
InChIKeyWZXOWCSQBCXIQI-UHFFFAOYSA-N
MW266.74 g/mol
LogP2.05
Rot. Bonds3

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

6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 63728506) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID63728506
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H15ClN6/c1-6-9(12)15-8(3)16-10(6)14-7(2)11-17-13-5-18(11)4/h5,7H,1-4H3,(H,14,15,16)
InChIKeyWZXOWCSQBCXIQI-UHFFFAOYSA-N
XLogP2.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 52.05
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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 63728506) is 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC(C)c2nncn2C)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is WZXOWCSQBCXIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-6-9(12)15-8(3)16-10(6)14-7(2)11-17-13-5-18(11)4/h5,7H,1-4H3,(H,14,15,16).
What are the key properties of 6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 266.74 g/mol, XLogP of 2.05, 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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 63728506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).