2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C17H25N3S — CID 65391851

IUPAC2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C)(C)CC2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H25N3S/c1-10-11(2)21-16-13(10)15(18-5)19-14(20-16)12-6-8-17(3,4)9-7-12/h12H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyRQMWSSNUVBRMQZ-UHFFFAOYSA-N
MW303.48 g/mol
LogP5.03
Rot. Bonds2

About 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65391851) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65391851
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C)(C)CC2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H25N3S/c1-10-11(2)21-16-13(10)15(18-5)19-14(20-16)12-6-8-17(3,4)9-7-12/h12H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyRQMWSSNUVBRMQZ-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910
(2-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 62250283
(2-cycloheptyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 65399665
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65392053
2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65351822
2-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025320
N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65404241
N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80638956
2-cyclopropyl-6-N,5-dimethyl-4-N-(1-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80991566
2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65390273
N-methyl-10-(4-methylcyclohexyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63487286

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 65391851) is 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(C2CCC(C)(C)CC2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RQMWSSNUVBRMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-10-11(2)21-16-13(10)15(18-5)19-14(20-16)12-6-8-17(3,4)9-7-12/h12H,6-9H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.48 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65391851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).