N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide

C13H11F2N3O2 — CID 91628561

IUPACN-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(F)cc2F)ncn1
InChIInChI=1S/C13H11F2N3O2/c1-20-12-5-11(17-7-18-12)13(19)16-6-8-2-3-9(14)4-10(8)15/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeyUBLARICIUAYHNK-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.69
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide (PubChem CID 91628561) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
PubChem CID91628561
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(F)cc2F)ncn1
InChIInChI=1S/C13H11F2N3O2/c1-20-12-5-11(17-7-18-12)13(19)16-6-8-2-3-9(14)4-10(8)15/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeyUBLARICIUAYHNK-UHFFFAOYSA-N
XLogP1.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
CID 91628554
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-[(2,4-difluorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051416
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
CID 69160390
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide (CID 91628561) is N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)NCc2ccc(F)cc2F)ncn1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide?
The InChIKey is UBLARICIUAYHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-20-12-5-11(17-7-18-12)13(19)16-6-8-2-3-9(14)4-10(8)15/h2-5,7H,6H2,1H3,(H,16,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91628561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).