4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine

C17H25ClN6 — CID 133448919

IUPAC4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C17H25ClN6/c1-5-14-15(18)20-12(4)21-17(14)23-8-6-7-13(9-23)16-22-19-10-24(16)11(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyJKVFYUYSCYXUAO-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.56
Rot. Bonds4

About 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine

4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 133448919) has the molecular formula C17H25ClN6 and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
PubChem CID133448919
Molecular FormulaC17H25ClN6
Molecular Weight348.88 g/mol
Exact Mass348.18
IUPAC Name4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C17H25ClN6/c1-5-14-15(18)20-12(4)21-17(14)23-8-6-7-13(9-23)16-22-19-10-24(16)11(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyJKVFYUYSCYXUAO-UHFFFAOYSA-N
XLogP3.56
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (CID 133448919) is 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is CCc1c(Cl)nc(C)nc1N1CCCC(c2nncn2C(C)C)C1.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is JKVFYUYSCYXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6/c1-5-14-15(18)20-12(4)21-17(14)23-8-6-7-13(9-23)16-22-19-10-24(16)11(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 348.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133448919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).