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

C15H17N3O3 — CID 116647675

IUPACmethyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ccc(OC)c(C)c2)nc1N
InChIInChI=1S/C15H17N3O3/c1-8-7-10(5-6-11(8)20-3)14-17-9(2)12(13(16)18-14)15(19)21-4/h5-7H,1-4H3,(H2,16,17,18)
InChIKeyYMQPOGYDGYGWIX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.14
Rot. Bonds3

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

methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 116647675) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
PubChem CID116647675
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ccc(OC)c(C)c2)nc1N
InChIInChI=1S/C15H17N3O3/c1-8-7-10(5-6-11(8)20-3)14-17-9(2)12(13(16)18-14)15(19)21-4/h5-7H,1-4H3,(H2,16,17,18)
InChIKeyYMQPOGYDGYGWIX-UHFFFAOYSA-N
XLogP2.14
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916074
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647671
ethyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916076
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471995
methyl 4-amino-2-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647642
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66295326

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate (CID 116647675) is methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(-c2ccc(OC)c(C)c2)nc1N.
What is the InChIKey of methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is YMQPOGYDGYGWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-7-10(5-6-11(8)20-3)14-17-9(2)12(13(16)18-14)15(19)21-4/h5-7H,1-4H3,(H2,16,17,18).
What are the key properties of methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate?
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).