6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H10F3N7S — CID 106774892

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnnn2C2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N7S/c1-14-6-4-7(16-8(15-6)10(11,12)13)21-9-17-18-19-20(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyUPOMUBXMNROUCF-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.01
Rot. Bonds4

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774892) has the molecular formula C10H10F3N7S and a molecular weight of 317.30 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774892
Molecular FormulaC10H10F3N7S
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnnn2C2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N7S/c1-14-6-4-7(16-8(15-6)10(11,12)13)21-9-17-18-19-20(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyUPOMUBXMNROUCF-UHFFFAOYSA-N
XLogP2.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.01
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-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774892) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nnnn2C2CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UPOMUBXMNROUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7S/c1-14-6-4-7(16-8(15-6)10(11,12)13)21-9-17-18-19-20(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 317.30 g/mol, XLogP of 2.01, 4 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-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).