methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate

C15H23N3O2 — CID 116647635

IUPACmethyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
SMILESCCC1CCCC(c2nc(C)c(C(=O)OC)c(N)n2)C1
InChIInChI=1S/C15H23N3O2/c1-4-10-6-5-7-11(8-10)14-17-9(2)12(13(16)18-14)15(19)20-3/h10-11H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyFGPAEJUJQMVWOS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.84
Rot. Bonds3

About methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate

methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 116647635) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
PubChem CID116647635
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
SMILESCCC1CCCC(c2nc(C)c(C(=O)OC)c(N)n2)C1
InChIInChI=1S/C15H23N3O2/c1-4-10-6-5-7-11(8-10)14-17-9(2)12(13(16)18-14)15(19)20-3/h10-11H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyFGPAEJUJQMVWOS-UHFFFAOYSA-N
XLogP2.84
TPSA78.10 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
CID 116647833
methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
CID 116647634
methyl 4-amino-2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-5-carboxylate
CID 116647503
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
CID 116648063
6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66304402
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
CID 116648065
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-amino-6-methylpyrimidine-5-carboxylate
CID 116647620
4-cyclopentyl-6-(3-ethylcyclopentyl)-1,3,5-triazin-2-amine
CID 65404534

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate (CID 116647635) is methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate is CCC1CCCC(c2nc(C)c(C(=O)OC)c(N)n2)C1.
What is the InChIKey of methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is FGPAEJUJQMVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10-6-5-7-11(8-10)14-17-9(2)12(13(16)18-14)15(19)20-3/h10-11H,4-8H2,1-3H3,(H2,16,17,18).
What are the key properties of methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate?
methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).