ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate

C14H14ClN3O2 — CID 116647802

IUPACethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2Cl)nc1N
InChIInChI=1S/C14H14ClN3O2/c1-3-20-14(19)11-8(2)17-13(18-12(11)16)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H2,16,17,18)
InChIKeyHMPLQMCHFZRQSP-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.86
Rot. Bonds3

About ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate

ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 116647802) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
PubChem CID116647802
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Nameethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2Cl)nc1N
InChIInChI=1S/C14H14ClN3O2/c1-3-20-14(19)11-8(2)17-13(18-12(11)16)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H2,16,17,18)
InChIKeyHMPLQMCHFZRQSP-UHFFFAOYSA-N
XLogP2.86
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-5-carboxylate
CID 116647754
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid
CID 14271881
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
CID 116648136
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
CID 11780400
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-pyridinyl]methoxy]acetic acid
CID 14271878
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
ethyl 2-amino-4-[(2-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851197

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate (CID 116647802) is ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2Cl)nc1N.
What is the InChIKey of ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is HMPLQMCHFZRQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-3-20-14(19)11-8(2)17-13(18-12(11)16)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate?
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 291.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).