methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate

C15H19N3O2S — CID 102687139

IUPACmethyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2ncnc3c(C)csc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-9-7-21-13-12(9)16-8-17-14(13)18-11-5-3-10(4-6-11)15(19)20-2/h7-8,10-11H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyCCIZRGOVNRFATF-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.14
Rot. Bonds3

About methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate

methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate (PubChem CID 102687139) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
PubChem CID102687139
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namemethyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2ncnc3c(C)csc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-9-7-21-13-12(9)16-8-17-14(13)18-11-5-3-10(4-6-11)15(19)20-2/h7-8,10-11H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyCCIZRGOVNRFATF-UHFFFAOYSA-N
XLogP3.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686679
7-methyl-N-(1-propylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686395
N-(2,2-dimethylcyclopropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686423
7-methyl-N-(2,2,3,3-tetramethylcyclopropyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686575
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide
CID 71160600
methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate
CID 115777411
(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155504791
N-[2-(aminomethyl)cyclohexyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686896

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate (CID 102687139) is methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2ncnc3c(C)csc23)CC1.
What is the InChIKey of methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is CCIZRGOVNRFATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-21-13-12(9)16-8-17-14(13)18-11-5-3-10(4-6-11)15(19)20-2/h7-8,10-11H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 102687139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).