6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine

C9H12N8S — CID 80893103

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Sc2nnnn2C2CC2)nc(N)n1
InChIInChI=1S/C9H12N8S/c1-11-6-4-7(13-8(10)12-6)18-9-14-15-16-17(9)5-2-3-5/h4-5H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyLBYLJZPCKNNUOW-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.57
Rot. Bonds4

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80893103) has the molecular formula C9H12N8S and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80893103
Molecular FormulaC9H12N8S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Sc2nnnn2C2CC2)nc(N)n1
InChIInChI=1S/C9H12N8S/c1-11-6-4-7(13-8(10)12-6)18-9-14-15-16-17(9)5-2-3-5/h4-5H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyLBYLJZPCKNNUOW-UHFFFAOYSA-N
XLogP0.57
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893511
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine (CID 80893103) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine is CNc1cc(Sc2nnnn2C2CC2)nc(N)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is LBYLJZPCKNNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8S/c1-11-6-4-7(13-8(10)12-6)18-9-14-15-16-17(9)5-2-3-5/h4-5H,2-3H2,1H3,(H3,10,11,12,13).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 264.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80893103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).