6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine

C13H13N5S2 — CID 103334120

IUPAC6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Sc3ncccn3)nc(NC)nc2s1
InChIInChI=1S/C13H13N5S2/c1-3-8-7-9-10(19-8)17-12(14-2)18-11(9)20-13-15-5-4-6-16-13/h4-7H,3H2,1-2H3,(H,14,17,18)
InChIKeyRPTWZZHBDBRAQO-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.24
Rot. Bonds4

About 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine

6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334120) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334120
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Sc3ncccn3)nc(NC)nc2s1
InChIInChI=1S/C13H13N5S2/c1-3-8-7-9-10(19-8)17-12(14-2)18-11(9)20-13-15-5-4-6-16-13/h4-7H,3H2,1-2H3,(H,14,17,18)
InChIKeyRPTWZZHBDBRAQO-UHFFFAOYSA-N
XLogP3.24
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335325
4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334260
6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334389
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
ethyl 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103334493
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560
6-ethyl-4-(furan-2-ylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331380
6-ethyl-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327929
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334745
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334120) is 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Sc3ncccn3)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is RPTWZZHBDBRAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-3-8-7-9-10(19-8)17-12(14-2)18-11(9)20-13-15-5-4-6-16-13/h4-7H,3H2,1-2H3,(H,14,17,18).
What are the key properties of 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 303.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).