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

C10H15N7S — CID 80887595

IUPAC5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nnnn2C)c1C
InChIInChI=1S/C10H15N7S/c1-4-5-11-8-7(2)9(13-6-12-8)18-10-14-15-16-17(10)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyIKFSRKMEOCQCFH-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.28
Rot. Bonds5

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

5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80887595) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
PubChem CID80887595
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nnnn2C)c1C
InChIInChI=1S/C10H15N7S/c1-4-5-11-8-7(2)9(13-6-12-8)18-10-14-15-16-17(10)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyIKFSRKMEOCQCFH-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

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63730604
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
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
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine
CID 47129940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine (CID 80887595) is 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2nnnn2C)c1C.
What is the InChIKey of 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is IKFSRKMEOCQCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-4-5-11-8-7(2)9(13-6-12-8)18-10-14-15-16-17(10)3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine?
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-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 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80887595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).