5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H17N3S2 — CID 107265827

IUPAC5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCSC1(CNc2ncnc3sc(C)c(C)c23)CC1
InChIInChI=1S/C13H17N3S2/c1-8-9(2)18-12-10(8)11(15-7-16-12)14-6-13(17-3)4-5-13/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyGCKWPRQAMHKUMZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.62
Rot. Bonds4

About 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 107265827) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID107265827
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCSC1(CNc2ncnc3sc(C)c(C)c23)CC1
InChIInChI=1S/C13H17N3S2/c1-8-9(2)18-12-10(8)11(15-7-16-12)14-6-13(17-3)4-5-13/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyGCKWPRQAMHKUMZ-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 107265827) is 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CSC1(CNc2ncnc3sc(C)c(C)c23)CC1.
What is the InChIKey of 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GCKWPRQAMHKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-8-9(2)18-12-10(8)11(15-7-16-12)14-6-13(17-3)4-5-13/h7H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107265827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).