4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine

C11H9N5S2 — CID 103334697

IUPAC4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cnc(Sc2nc(N)nc3sccc23)nc1
InChIInChI=1S/C11H9N5S2/c1-6-4-13-11(14-5-6)18-9-7-2-3-17-8(7)15-10(12)16-9/h2-5H,1H3,(H2,12,15,16)
InChIKeyKSIZOIOZDVITCH-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.52
Rot. Bonds2

About 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine

4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334697) has the molecular formula C11H9N5S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334697
Molecular FormulaC11H9N5S2
Molecular Weight275.36 g/mol
Exact Mass275.03
IUPAC Name4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cnc(Sc2nc(N)nc3sccc23)nc1
InChIInChI=1S/C11H9N5S2/c1-6-4-13-11(14-5-6)18-9-7-2-3-17-8(7)15-10(12)16-9/h2-5H,1H3,(H2,12,15,16)
InChIKeyKSIZOIOZDVITCH-UHFFFAOYSA-N
XLogP2.52
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334167
4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335268
4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331483
[6-methyl-4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336591
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806532
4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
CID 64588143
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166774034

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334697) is 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine is Cc1cnc(Sc2nc(N)nc3sccc23)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KSIZOIOZDVITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S2/c1-6-4-13-11(14-5-6)18-9-7-2-3-17-8(7)15-10(12)16-9/h2-5H,1H3,(H2,12,15,16).
What are the key properties of 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).