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

C11H15ClN6 — CID 71975890

IUPAC5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCC(C)c1nncn1CCNc1ncc(Cl)cn1
InChIInChI=1S/C11H15ClN6/c1-8(2)10-17-16-7-18(10)4-3-13-11-14-5-9(12)6-15-11/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyCHJILDOKIQLECU-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.96
Rot. Bonds5

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

5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 71975890) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID71975890
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCC(C)c1nncn1CCNc1ncc(Cl)cn1
InChIInChI=1S/C11H15ClN6/c1-8(2)10-17-16-7-18(10)4-3-13-11-14-5-9(12)6-15-11/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyCHJILDOKIQLECU-UHFFFAOYSA-N
XLogP1.96
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine (CID 71975890) is 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine is CC(C)c1nncn1CCNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is CHJILDOKIQLECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-8(2)10-17-16-7-18(10)4-3-13-11-14-5-9(12)6-15-11/h5-8H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine?
5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 266.74 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 71975890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).