2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine

C15H19ClN4S — CID 80970894

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C15H19ClN4S/c1-6-7-12-19-13(16)9(3)14(20-12)21-15-17-10(4)8(2)11(5)18-15/h6-7H2,1-5H3
InChIKeyJFAJPINRDATRAA-UHFFFAOYSA-N
MW322.87 g/mol
LogP4.26
Rot. Bonds4

About 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine (PubChem CID 80970894) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
PubChem CID80970894
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C15H19ClN4S/c1-6-7-12-19-13(16)9(3)14(20-12)21-15-17-10(4)8(2)11(5)18-15/h6-7H2,1-5H3
InChIKeyJFAJPINRDATRAA-UHFFFAOYSA-N
XLogP4.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
CID 80978202
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 80978200
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
2-ethyl-N,5-dimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80995265
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
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
5-bromo-4-chloro-6-methyl-2-propylpyrimidine
CID 66293537
2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
CID 60996520
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine (CID 80970894) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine is CCCc1nc(Cl)c(C)c(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The InChIKey is JFAJPINRDATRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-6-7-12-19-13(16)9(3)14(20-12)21-15-17-10(4)8(2)11(5)18-15/h6-7H2,1-5H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine has a molecular weight of 322.87 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 80970894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).