4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine

C15H17ClN2S — CID 63730826

IUPAC4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine
SMILESCc1cccc(CSc2ncnc(Cl)c2C(C)C)c1
InChIInChI=1S/C15H17ClN2S/c1-10(2)13-14(16)17-9-18-15(13)19-8-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyZVEIAHYZVHJYCE-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.85
Rot. Bonds4

About 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine

4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine (PubChem CID 63730826) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine
PubChem CID63730826
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine
SMILESCc1cccc(CSc2ncnc(Cl)c2C(C)C)c1
InChIInChI=1S/C15H17ClN2S/c1-10(2)13-14(16)17-9-18-15(13)19-8-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyZVEIAHYZVHJYCE-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-nitropyrimidine
CID 55112784
2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442
N,5-diethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80888888
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
4-chloro-6-phenylsulfanyl-5-propan-2-ylpyrimidine
CID 55229898
2-chloro-3-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 62770937
6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728785
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
6-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 114793065
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine (CID 63730826) is 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine is Cc1cccc(CSc2ncnc(Cl)c2C(C)C)c1.
What is the InChIKey of 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine?
The InChIKey is ZVEIAHYZVHJYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10(2)13-14(16)17-9-18-15(13)19-8-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine?
4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine has a molecular weight of 292.84 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63730826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).