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

C14H14FN3O2 — CID 116647671

IUPACmethyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2cc(C)cc(F)c2)nc1N
InChIInChI=1S/C14H14FN3O2/c1-7-4-9(6-10(15)5-7)13-17-8(2)11(12(16)18-13)14(19)20-3/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyHGJPCHLKIIQRKD-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.27
Rot. Bonds2

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

methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 116647671) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate
PubChem CID116647671
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2cc(C)cc(F)c2)nc1N
InChIInChI=1S/C14H14FN3O2/c1-7-4-9(6-10(15)5-7)13-17-8(2)11(12(16)18-13)14(19)20-3/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyHGJPCHLKIIQRKD-UHFFFAOYSA-N
XLogP2.27
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate
CID 66778914
3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
CID 71208997
ethyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916076
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
methyl 4-amino-6-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate
CID 116647528
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate (CID 116647671) is methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(-c2cc(C)cc(F)c2)nc1N.
What is the InChIKey of methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is HGJPCHLKIIQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-7-4-9(6-10(15)5-7)13-17-8(2)11(12(16)18-13)14(19)20-3/h4-6H,1-3H3,(H2,16,17,18).
What are the key properties of methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate?
methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.27, 2 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-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).