3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C15H19N3O2S — CID 63617216

IUPAC3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc2c(NC3(C(=O)O)CCCC(C)C3)ncnc2s1
InChIInChI=1S/C15H19N3O2S/c1-9-4-3-5-15(7-9,14(19)20)18-12-11-6-10(2)21-13(11)17-8-16-12/h6,8-9H,3-5,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDETMZMZWELNELO-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.45
Rot. Bonds3

About 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63617216) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID63617216
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc2c(NC3(C(=O)O)CCCC(C)C3)ncnc2s1
InChIInChI=1S/C15H19N3O2S/c1-9-4-3-5-15(7-9,14(19)20)18-12-11-6-10(2)21-13(11)17-8-16-12/h6,8-9H,3-5,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyDETMZMZWELNELO-UHFFFAOYSA-N
XLogP3.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 55249156
2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64700972
3-methyl-1-(7H-purin-6-ylamino)cyclohexane-1-carboxylic acid
CID 61292392
1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433384
1-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopropane-1-carboxylic acid
CID 90185750
N-[1-(aminomethyl)-3-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63759270
3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 66333387
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291855
1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61292222
1-(4-fluoroanilino)-3-methylcyclohexane-1-carboxylic acid
CID 60991952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 63617216) is 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is Cc1cc2c(NC3(C(=O)O)CCCC(C)C3)ncnc2s1.
What is the InChIKey of 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DETMZMZWELNELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-3-5-15(7-9,14(19)20)18-12-11-6-10(2)21-13(11)17-8-16-12/h6,8-9H,3-5,7H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63617216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).