methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate

C15H23N3O2 — CID 66285279

IUPACmethyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC2CCCCCC2C)n1
InChIInChI=1S/C15H23N3O2/c1-10-7-5-4-6-8-12(10)17-13-9-11(2)16-14(18-13)15(19)20-3/h9-10,12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyHPTZTWBSZLZTFM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.95
Rot. Bonds3

About methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate (PubChem CID 66285279) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
PubChem CID66285279
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC2CCCCCC2C)n1
InChIInChI=1S/C15H23N3O2/c1-10-7-5-4-6-8-12(10)17-13-9-11(2)16-14(18-13)15(19)20-3/h9-10,12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyHPTZTWBSZLZTFM-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80944363
6-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395279
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067
methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
CID 116895236
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
6-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 60876622
2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 82458345
4,6-dimethyl-2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55027428
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285460

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate (CID 66285279) is methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC2CCCCCC2C)n1.
What is the InChIKey of methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate?
The InChIKey is HPTZTWBSZLZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-7-5-4-6-8-12(10)17-13-9-11(2)16-14(18-13)15(19)20-3/h9-10,12H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).