4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

C15H21N3S2 — CID 103334576

IUPAC4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(SC2CCCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H21N3S2/c1-3-16-15-17-13-12(9-10(2)19-13)14(18-15)20-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyKEKBPVOFPJBSLJ-UHFFFAOYSA-N
MW307.49 g/mol
LogP4.86
Rot. Bonds4

About 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334576) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334576
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(SC2CCCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H21N3S2/c1-3-16-15-17-13-12(9-10(2)19-13)14(18-15)20-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyKEKBPVOFPJBSLJ-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103333961
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine
CID 112750630
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107415805

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103334576) is 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(SC2CCCCC2)c2cc(C)sc2n1.
What is the InChIKey of 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KEKBPVOFPJBSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-3-16-15-17-13-12(9-10(2)19-13)14(18-15)20-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).