4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine

C11H13ClN6S — CID 133432419

IUPAC4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine
SMILESCC(C)n1nnnc1Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H13ClN6S/c1-6(2)18-11(15-16-17-18)19-9-5-8(12)13-10(14-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyRXDDFUZSZWNTSI-UHFFFAOYSA-N
MW296.79 g/mol
LogP2.73
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine

4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine (PubChem CID 133432419) has the molecular formula C11H13ClN6S and a molecular weight of 296.79 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine
PubChem CID133432419
Molecular FormulaC11H13ClN6S
Molecular Weight296.79 g/mol
Exact Mass296.06
IUPAC Name4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine
SMILESCC(C)n1nnnc1Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H13ClN6S/c1-6(2)18-11(15-16-17-18)19-9-5-8(12)13-10(14-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyRXDDFUZSZWNTSI-UHFFFAOYSA-N
XLogP2.73
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
CID 80951552
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 103880271
4-[5-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyltetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 133432543
4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80951185
4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133432670
4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
CID 80951106
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525456
5-cyclopropyl-1-propan-2-yltetrazole
CID 139307361
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
4-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-cyclopropylpyrimidine
CID 133432876
1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone
CID 133421952

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine (CID 133432419) is 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine is CC(C)n1nnnc1Sc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine?
The InChIKey is RXDDFUZSZWNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6S/c1-6(2)18-11(15-16-17-18)19-9-5-8(12)13-10(14-9)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine?
4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine has a molecular weight of 296.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine is sourced from PubChem (CID 133432419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).