methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate

C12H10Cl2N4O2 — CID 116647598

IUPACmethyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ncc(Cl)cc2Cl)nc1N
InChIInChI=1S/C12H10Cl2N4O2/c1-5-8(12(19)20-2)10(15)18-11(17-5)9-7(14)3-6(13)4-16-9/h3-4H,1-2H3,(H2,15,17,18)
InChIKeyNXFDLLXXUJIFPJ-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.52
Rot. Bonds2

About methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate

methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 116647598) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
PubChem CID116647598
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Namemethyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ncc(Cl)cc2Cl)nc1N
InChIInChI=1S/C12H10Cl2N4O2/c1-5-8(12(19)20-2)10(15)18-11(17-5)9-7(14)3-6(13)4-16-9/h3-4H,1-2H3,(H2,15,17,18)
InChIKeyNXFDLLXXUJIFPJ-UHFFFAOYSA-N
XLogP2.52
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 79780012
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
methyl 2-(3,5-dichloro-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 79779929
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
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
5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
CID 79786506
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid
CID 79780842
methyl 7-chloro-3-methylquinoline-8-carboxylate
CID 21278643
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate (CID 116647598) is methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(-c2ncc(Cl)cc2Cl)nc1N.
What is the InChIKey of methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is NXFDLLXXUJIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-5-8(12(19)20-2)10(15)18-11(17-5)9-7(14)3-6(13)4-16-9/h3-4H,1-2H3,(H2,15,17,18).
What are the key properties of methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate?
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 313.14 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).