2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine

C10H13N7S — CID 47153947

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nnnn2C2CC2)n1
InChIInChI=1S/C10H13N7S/c1-6-4-8(11)13-10(12-6)18-5-9-14-15-16-17(9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyDSVGOCVOPRXNRH-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.98
Rot. Bonds4

About 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 47153947) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID47153947
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nnnn2C2CC2)n1
InChIInChI=1S/C10H13N7S/c1-6-4-8(11)13-10(12-6)18-5-9-14-15-16-17(9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyDSVGOCVOPRXNRH-UHFFFAOYSA-N
XLogP0.98
TPSA95.40 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78911654
5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43301839
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline
CID 51112951
4-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-2-methylquinoline
CID 71993084
6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
CID 79005466
2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331181
N-[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
CID 47022313
6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
CID 115331164
6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 47424857
[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149841
3-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 71993083
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 47153947) is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCc2nnnn2C2CC2)n1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is DSVGOCVOPRXNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-6-4-8(11)13-10(12-6)18-5-9-14-15-16-17(9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 263.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 47153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).