4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid

C10H10N6O2S — CID 114214948

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H10N6O2S/c1-5-11-4-7(9(17)18)8(12-5)19-10-13-14-15-16(10)6-2-3-6/h4,6H,2-3H2,1H3,(H,17,18)
InChIKeySTFVFLMZEZEERK-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.96
Rot. Bonds4

About 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114214948) has the molecular formula C10H10N6O2S and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
PubChem CID114214948
Molecular FormulaC10H10N6O2S
Molecular Weight278.30 g/mol
Exact Mass278.06
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H10N6O2S/c1-5-11-4-7(9(17)18)8(12-5)19-10-13-14-15-16(10)6-2-3-6/h4,6H,2-3H2,1H3,(H,17,18)
InChIKeySTFVFLMZEZEERK-UHFFFAOYSA-N
XLogP0.96
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid (CID 114214948) is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is STFVFLMZEZEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S/c1-5-11-4-7(9(17)18)8(12-5)19-10-13-14-15-16(10)6-2-3-6/h4,6H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid?
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 278.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).