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

C11H15ClN6 — CID 84600223

IUPAC5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCC(C)c1nnc(CNc2ncc(Cl)cn2)n1C
InChIInChI=1S/C11H15ClN6/c1-7(2)10-17-16-9(18(10)3)6-15-11-13-4-8(12)5-14-11/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyMAEYXCUMJHYMJU-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.99
Rot. Bonds4

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

5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 84600223) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID84600223
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCC(C)c1nnc(CNc2ncc(Cl)cn2)n1C
InChIInChI=1S/C11H15ClN6/c1-7(2)10-17-16-9(18(10)3)6-15-11-13-4-8(12)5-14-11/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyMAEYXCUMJHYMJU-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (CID 84600223) is 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is CC(C)c1nnc(CNc2ncc(Cl)cn2)n1C.
What is the InChIKey of 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is MAEYXCUMJHYMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-7(2)10-17-16-9(18(10)3)6-15-11-13-4-8(12)5-14-11/h4-5,7H,6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 266.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 84600223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).