4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine

C14H16ClN3S — CID 102925184

IUPAC4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine
SMILESCc1cc(C)nc(Sc2ncnc(Cl)c2C(C)C)c1
InChIInChI=1S/C14H16ClN3S/c1-8(2)12-13(15)16-7-17-14(12)19-11-6-9(3)5-10(4)18-11/h5-8H,1-4H3
InChIKeyARNDXSRPXLDMJO-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine

4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine (PubChem CID 102925184) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine
PubChem CID102925184
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine
SMILESCc1cc(C)nc(Sc2ncnc(Cl)c2C(C)C)c1
InChIInChI=1S/C14H16ClN3S/c1-8(2)12-13(15)16-7-17-14(12)19-11-6-9(3)5-10(4)18-11/h5-8H,1-4H3
InChIKeyARNDXSRPXLDMJO-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-propan-2-yloxypyrimidin-5-amine
CID 102924624
4-chloro-6-phenylsulfanyl-5-propan-2-ylpyrimidine
CID 55229898
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 63731024
4-tert-butylsulfanyl-6-chloro-5-propan-2-ylpyrimidine
CID 63728560
4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine
CID 63730826
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
CID 102926978
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 63728381
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
4-butylsulfanyl-6-chloro-5-propan-2-ylpyrimidine
CID 63732708
N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 63731436
4-chloro-6-(2-nitrophenyl)sulfanyl-5-propan-2-ylpyrimidine
CID 63731231
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
CID 102925265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine (CID 102925184) is 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine is Cc1cc(C)nc(Sc2ncnc(Cl)c2C(C)C)c1.
What is the InChIKey of 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine?
The InChIKey is ARNDXSRPXLDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-8(2)12-13(15)16-7-17-14(12)19-11-6-9(3)5-10(4)18-11/h5-8H,1-4H3.
What are the key properties of 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine?
4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine has a molecular weight of 293.82 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 102925184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).