6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine

C9H11N7S — CID 80893018

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Sc1nnnn1C1CC1
InChIInChI=1S/C9H11N7S/c1-5-7(10)11-4-12-8(5)17-9-13-14-15-16(9)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11,12)
InChIKeyWVVZGWYDLSLFJC-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.84
Rot. Bonds3

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine (PubChem CID 80893018) has the molecular formula C9H11N7S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
PubChem CID80893018
Molecular FormulaC9H11N7S
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Sc1nnnn1C1CC1
InChIInChI=1S/C9H11N7S/c1-5-7(10)11-4-12-8(5)17-9-13-14-15-16(9)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11,12)
InChIKeyWVVZGWYDLSLFJC-UHFFFAOYSA-N
XLogP0.84
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine (CID 80893018) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Sc1nnnn1C1CC1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine?
The InChIKey is WVVZGWYDLSLFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7S/c1-5-7(10)11-4-12-8(5)17-9-13-14-15-16(9)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine has a molecular weight of 249.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80893018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).