4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine

C10H15N7S — CID 80887590

IUPAC4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Sc2nnnn2C)n1
InChIInChI=1S/C10H15N7S/c1-4-5-11-9-12-7(2)6-8(13-9)18-10-14-15-16-17(10)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyJCVUKWYVWKYQBQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.28
Rot. Bonds5

About 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine

4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80887590) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID80887590
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Sc2nnnn2C)n1
InChIInChI=1S/C10H15N7S/c1-4-5-11-9-12-7(2)6-8(13-9)18-10-14-15-16-17(10)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyJCVUKWYVWKYQBQ-UHFFFAOYSA-N
XLogP1.28
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80883438
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
CID 80895426
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720216
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine
CID 78990345
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239053

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine (CID 80887590) is 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Sc2nnnn2C)n1.
What is the InChIKey of 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is JCVUKWYVWKYQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-4-5-11-9-12-7(2)6-8(13-9)18-10-14-15-16-17(10)3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 265.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80887590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).