4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine

C11H14ClN7S — CID 47151426

IUPAC4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(Sc2nnnn2C2CCCCC2)n1
InChIInChI=1S/C11H14ClN7S/c12-8-6-9(15-10(13)14-8)20-11-16-17-18-19(11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyMOIFVLFYUNAVOE-UHFFFAOYSA-N
MW311.80 g/mol
LogP2.36
Rot. Bonds3

About 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine

4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine (PubChem CID 47151426) has the molecular formula C11H14ClN7S and a molecular weight of 311.80 g/mol. Its IUPAC name is 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine
PubChem CID47151426
Molecular FormulaC11H14ClN7S
Molecular Weight311.80 g/mol
Exact Mass311.07
IUPAC Name4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(Sc2nnnn2C2CCCCC2)n1
InChIInChI=1S/C11H14ClN7S/c12-8-6-9(15-10(13)14-8)20-11-16-17-18-19(11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyMOIFVLFYUNAVOE-UHFFFAOYSA-N
XLogP2.36
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine (CID 47151426) is 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine is Nc1nc(Cl)cc(Sc2nnnn2C2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The InChIKey is MOIFVLFYUNAVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7S/c12-8-6-9(15-10(13)14-8)20-11-16-17-18-19(11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,13,14,15).
What are the key properties of 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine has a molecular weight of 311.80 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-cyclohexyltetrazol-5-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 47151426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).