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

C13H13N5S2 — CID 103335001

IUPACN-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccncn2)c2cc(C)sc2n1
InChIInChI=1S/C13H13N5S2/c1-3-15-13-17-11-9(6-8(2)19-11)12(18-13)20-10-4-5-14-7-16-10/h4-7H,3H2,1-2H3,(H,15,17,18)
InChIKeyLYWPBLJWKMUMKL-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.37
Rot. Bonds4

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

N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335001) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103335001
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC NameN-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccncn2)c2cc(C)sc2n1
InChIInChI=1S/C13H13N5S2/c1-3-15-13-17-11-9(6-8(2)19-11)12(18-13)20-10-4-5-14-7-16-10/h4-7H,3H2,1-2H3,(H,15,17,18)
InChIKeyLYWPBLJWKMUMKL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-propyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334996
N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103333961
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 103334802
(6-methyl-4-pyrazin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336631
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103335086
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
[6-methyl-4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103335001) is N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Sc2ccncn2)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LYWPBLJWKMUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-3-15-13-17-11-9(6-8(2)19-11)12(18-13)20-10-4-5-14-7-16-10/h4-7H,3H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine?
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 303.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).