6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine

C13H19N7S — CID 80870012

IUPAC6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H19N7S/c1-3-10-11(14-2)15-8-16-12(10)21-13-17-18-19-20(13)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWCIVFBYPPUNQIW-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.33
Rot. Bonds5

About 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine

6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80870012) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80870012
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H19N7S/c1-3-10-11(14-2)15-8-16-12(10)21-13-17-18-19-20(13)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWCIVFBYPPUNQIW-UHFFFAOYSA-N
XLogP2.33
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80893668
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
CID 38741243
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine (CID 80870012) is 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is WCIVFBYPPUNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-3-10-11(14-2)15-8-16-12(10)21-13-17-18-19-20(13)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 305.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80870012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).