4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine

C11H13ClN4S — CID 55228945

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Sc1cnn(C)c1
InChIInChI=1S/C11H13ClN4S/c1-7(2)9-10(12)13-6-14-11(9)17-8-4-15-16(3)5-8/h4-7H,1-3H3
InChIKeyAUYKFJVEGJTQBM-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.14
Rot. Bonds3

About 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine

4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine (PubChem CID 55228945) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine
PubChem CID55228945
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Sc1cnn(C)c1
InChIInChI=1S/C11H13ClN4S/c1-7(2)9-10(12)13-6-14-11(9)17-8-4-15-16(3)5-8/h4-7H,1-3H3
InChIKeyAUYKFJVEGJTQBM-UHFFFAOYSA-N
XLogP3.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine (CID 55228945) is 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1Sc1cnn(C)c1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine?
The InChIKey is AUYKFJVEGJTQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-7(2)9-10(12)13-6-14-11(9)17-8-4-15-16(3)5-8/h4-7H,1-3H3.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine?
4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine has a molecular weight of 268.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55228945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).