N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide

C14H13F2N3O2 — CID 74244249

IUPACN-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncnc2C)c(F)c1F
InChIInChI=1S/C14H13F2N3O2/c1-8-10(6-17-7-19-8)14(20)18-5-9-3-4-11(21-2)13(16)12(9)15/h3-4,6-7H,5H2,1-2H3,(H,18,20)
InChIKeyQKDCYTXLNNXTPT-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.00
Rot. Bonds4

About N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide

N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 74244249) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID74244249
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncnc2C)c(F)c1F
InChIInChI=1S/C14H13F2N3O2/c1-8-10(6-17-7-19-8)14(20)18-5-9-3-4-11(21-2)13(16)12(9)15/h3-4,6-7H,5H2,1-2H3,(H,18,20)
InChIKeyQKDCYTXLNNXTPT-UHFFFAOYSA-N
XLogP2.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 74244249) is N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2cncnc2C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is QKDCYTXLNNXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-10(6-17-7-19-8)14(20)18-5-9-3-4-11(21-2)13(16)12(9)15/h3-4,6-7H,5H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 293.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 74244249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).