methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate

C14H14ClN3O2 — CID 116647586

IUPACmethyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(Cc2cccc(Cl)c2)nc1N
InChIInChI=1S/C14H14ClN3O2/c1-8-12(14(19)20-2)13(16)18-11(17-8)7-9-4-3-5-10(15)6-9/h3-6H,7H2,1-2H3,(H2,16,17,18)
InChIKeyVPWRBWUYIZYYNB-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.40
Rot. Bonds3

About methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate

methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate (PubChem CID 116647586) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
PubChem CID116647586
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Namemethyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(Cc2cccc(Cl)c2)nc1N
InChIInChI=1S/C14H14ClN3O2/c1-8-12(14(19)20-2)13(16)18-11(17-8)7-9-4-3-5-10(15)6-9/h3-6H,7H2,1-2H3,(H2,16,17,18)
InChIKeyVPWRBWUYIZYYNB-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-2-[(3-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647516
methyl 4-amino-2-[(4-bromophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647511
methyl 4-amino-2-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647642
methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 18871108
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
methyl 4-amino-6-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate
CID 116647528
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930
methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 159527424

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate (CID 116647586) is methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(Cc2cccc(Cl)c2)nc1N.
What is the InChIKey of methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate?
The InChIKey is VPWRBWUYIZYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-12(14(19)20-2)13(16)18-11(17-8)7-9-4-3-5-10(15)6-9/h3-6H,7H2,1-2H3,(H2,16,17,18).
What are the key properties of methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate?
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate has a molecular weight of 291.74 g/mol, XLogP of 2.40, 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-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).