4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine

C12H16ClN5 — CID 114690776

IUPAC4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine
SMILESCCCn1nncc1-c1nc(CC)nc(Cl)c1C
InChIInChI=1S/C12H16ClN5/c1-4-6-18-9(7-14-17-18)11-8(3)12(13)16-10(5-2)15-11/h7H,4-6H2,1-3H3
InChIKeyCDYOZUQUOPLDND-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine

4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine (PubChem CID 114690776) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine
PubChem CID114690776
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine
SMILESCCCn1nncc1-c1nc(CC)nc(Cl)c1C
InChIInChI=1S/C12H16ClN5/c1-4-6-18-9(7-14-17-18)11-8(3)12(13)16-10(5-2)15-11/h7H,4-6H2,1-3H3
InChIKeyCDYOZUQUOPLDND-UHFFFAOYSA-N
XLogP2.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine (CID 114690776) is 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine is CCCn1nncc1-c1nc(CC)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine?
The InChIKey is CDYOZUQUOPLDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-6-18-9(7-14-17-18)11-8(3)12(13)16-10(5-2)15-11/h7H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine?
4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine has a molecular weight of 265.75 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine is sourced from PubChem (CID 114690776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).