6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine

C10H13N7S — CID 80893668

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnnn2C2CC2)c1C
InChIInChI=1S/C10H13N7S/c1-6-8(11-2)12-5-13-9(6)18-10-14-15-16-17(10)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySVMUYUYLUXNQIL-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.30
Rot. Bonds4

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80893668) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80893668
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnnn2C2CC2)c1C
InChIInChI=1S/C10H13N7S/c1-6-8(11-2)12-5-13-9(6)18-10-14-15-16-17(10)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySVMUYUYLUXNQIL-UHFFFAOYSA-N
XLogP1.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
CID 38741243
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
CID 114214948
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine (CID 80893668) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Sc2nnnn2C2CC2)c1C.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is SVMUYUYLUXNQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-6-8(11-2)12-5-13-9(6)18-10-14-15-16-17(10)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 263.33 g/mol, XLogP of 1.30, 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,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80893668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).