4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine

C11H14ClN5S — CID 80978202

IUPAC4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C11H14ClN5S/c1-4-5-8-14-9(12)6(2)10(15-8)18-11-13-7(3)16-17-11/h4-5H2,1-3H3,(H,13,16,17)
InChIKeyUQUADENYRABPGQ-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine

4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine (PubChem CID 80978202) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
PubChem CID80978202
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C11H14ClN5S/c1-4-5-8-14-9(12)6(2)10(15-8)18-11-13-7(3)16-17-11/h4-5H2,1-3H3,(H,13,16,17)
InChIKeyUQUADENYRABPGQ-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80970894
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 80978200
N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 80991223
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine
CID 66019898
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 114837975
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80978719
4-chloro-6-[(3,5-dimethylphenyl)methylsulfanyl]-5-methyl-2-propylpyrimidine
CID 80971056
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497
5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 103583844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine (CID 80978202) is 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Sc2n[nH]c(C)n2)n1.
What is the InChIKey of 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine?
The InChIKey is UQUADENYRABPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-4-5-8-14-9(12)6(2)10(15-8)18-11-13-7(3)16-17-11/h4-5H2,1-3H3,(H,13,16,17).
What are the key properties of 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine?
4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine has a molecular weight of 283.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine is sourced from PubChem (CID 80978202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).