5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine

C11H15ClN6 — CID 80867774

IUPAC5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
SMILESCCc1nc(CC)n(-c2nc(NC)ncc2Cl)n1
InChIInChI=1S/C11H15ClN6/c1-4-8-15-9(5-2)18(17-8)10-7(12)6-14-11(13-3)16-10/h6H,4-5H2,1-3H3,(H,13,14,16)
InChIKeySJTZZFPXLAMNCJ-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 80867774) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
PubChem CID80867774
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
SMILESCCc1nc(CC)n(-c2nc(NC)ncc2Cl)n1
InChIInChI=1S/C11H15ClN6/c1-4-8-15-9(5-2)18(17-8)10-7(12)6-14-11(13-3)16-10/h6H,4-5H2,1-3H3,(H,13,14,16)
InChIKeySJTZZFPXLAMNCJ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80904057
5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine
CID 80857792
5-bromo-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80868691
6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80867685
5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
5-bromo-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-amine
CID 80868019
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
CID 114786743
2-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-7H-purine
CID 104787488
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659
4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
CID 82699423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine (CID 80867774) is 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine is CCc1nc(CC)n(-c2nc(NC)ncc2Cl)n1.
What is the InChIKey of 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is SJTZZFPXLAMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-4-8-15-9(5-2)18(17-8)10-7(12)6-14-11(13-3)16-10/h6H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 266.74 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80867774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).