5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine

C8H7BrN6S — CID 66320984

IUPAC5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
SMILESBrc1cncnc1Sc1nnnn1C1CC1
InChIInChI=1S/C8H7BrN6S/c9-6-3-10-4-11-7(6)16-8-12-13-14-15(8)5-1-2-5/h3-5H,1-2H2
InChIKeyCJRCHJSQQUODBX-UHFFFAOYSA-N
MW299.16 g/mol
LogP1.71
Rot. Bonds3

About 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine

5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine (PubChem CID 66320984) has the molecular formula C8H7BrN6S and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
PubChem CID66320984
Molecular FormulaC8H7BrN6S
Molecular Weight299.16 g/mol
Exact Mass297.96
IUPAC Name5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
SMILESBrc1cncnc1Sc1nnnn1C1CC1
InChIInChI=1S/C8H7BrN6S/c9-6-3-10-4-11-7(6)16-8-12-13-14-15(8)5-1-2-5/h3-5H,1-2H2
InChIKeyCJRCHJSQQUODBX-UHFFFAOYSA-N
XLogP1.71
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80893668
5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 103519137
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80639438
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 66320751
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
CID 38741243

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine (CID 66320984) is 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine is Brc1cncnc1Sc1nnnn1C1CC1.
What is the InChIKey of 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine?
The InChIKey is CJRCHJSQQUODBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN6S/c9-6-3-10-4-11-7(6)16-8-12-13-14-15(8)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine?
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine has a molecular weight of 299.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine is sourced from PubChem (CID 66320984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).