2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C17H25N3S — CID 65392053

IUPAC2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(C3CCC(C)(C)CC3)nc2s1
InChIInChI=1S/C17H25N3S/c1-5-12-10-13-15(18-4)19-14(20-16(13)21-12)11-6-8-17(2,3)9-7-11/h10-11H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyDQSDBMIRDPBXIK-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.98
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65392053) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65392053
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(C3CCC(C)(C)CC3)nc2s1
InChIInChI=1S/C17H25N3S/c1-5-12-10-13-15(18-4)19-14(20-16(13)21-12)11-6-8-17(2,3)9-7-11/h10-11H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyDQSDBMIRDPBXIK-UHFFFAOYSA-N
XLogP4.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
2,7-Dimethyl-4-(piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 3207225
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
hGGPPS-IN-1
CID 71583205
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
2-Phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 337817
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026
({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methyl)phosphonic Acid
CID 74766013
2-Methyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
CID 2047262
1-Methyl-4-{2-methyl-6-phenylthieno[2,3-D]pyrimidin-4-YL}piperazine
CID 2086721

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 65392053) is 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(C3CCC(C)(C)CC3)nc2s1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DQSDBMIRDPBXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-12-10-13-15(18-4)19-14(20-16(13)21-12)11-6-8-17(2,3)9-7-11/h10-11H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65392053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).