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

C11H15N7S — CID 80894072

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nnnn2C2CC2)c1C
InChIInChI=1S/C11H15N7S/c1-3-12-9-7(2)10(14-6-13-9)19-11-15-16-17-18(11)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyCRYCVXYEOYZZHC-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.69
Rot. Bonds5

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

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80894072) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80894072
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nnnn2C2CC2)c1C
InChIInChI=1S/C11H15N7S/c1-3-12-9-7(2)10(14-6-13-9)19-11-15-16-17-18(11)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyCRYCVXYEOYZZHC-UHFFFAOYSA-N
XLogP1.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.69
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
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
CID 38741243
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80894072) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Sc2nnnn2C2CC2)c1C.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is CRYCVXYEOYZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7S/c1-3-12-9-7(2)10(14-6-13-9)19-11-15-16-17-18(11)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 277.36 g/mol, XLogP of 1.69, 5 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-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80894072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).