methyl 2-amino-4-phenylpyrimidine-5-carboxylate

C12H11N3O2 — CID 15398885

IUPACmethyl 2-amino-4-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C12H11N3O2/c1-17-11(16)9-7-14-12(13)15-10(9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15)
InChIKeyDOQPFYCCCSWUPD-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.51
Rot. Bonds2

About methyl 2-amino-4-phenylpyrimidine-5-carboxylate

methyl 2-amino-4-phenylpyrimidine-5-carboxylate (PubChem CID 15398885) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 2-amino-4-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-phenylpyrimidine-5-carboxylate
PubChem CID15398885
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-amino-4-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C12H11N3O2/c1-17-11(16)9-7-14-12(13)15-10(9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15)
InChIKeyDOQPFYCCCSWUPD-UHFFFAOYSA-N
XLogP1.51
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
methyl 2-amino-4-phenylquinazoline-5-carboxylate
CID 174554853
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
CID 143562143
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
methyl 2-amino-4-(5-bromo-2-methylphenyl)pyrimidine-5-carboxylate
CID 59113908
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74234846
2-amino-N-[(2-ethoxy-3-pyridinyl)methyl]-4-phenylpyrimidine-5-carboxamide
CID 74244365
4-phenylpyrimidine-2,5-diamine
CID 89253384
methyl 2-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)benzoate
CID 68916021
2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-phenylpyrimidine-5-carboxylate (CID 15398885) is methyl 2-amino-4-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-phenylpyrimidine-5-carboxylate is COC(=O)c1cnc(N)nc1-c1ccccc1.
What is the InChIKey of methyl 2-amino-4-phenylpyrimidine-5-carboxylate?
The InChIKey is DOQPFYCCCSWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-11(16)9-7-14-12(13)15-10(9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15).
What are the key properties of methyl 2-amino-4-phenylpyrimidine-5-carboxylate?
methyl 2-amino-4-phenylpyrimidine-5-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 15398885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).