2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C18H15F2N5O — CID 109330341

IUPAC2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccncc2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H15F2N5O/c1-11-8-16(17(26)22-10-12-4-6-21-7-5-12)25-18(23-11)24-13-2-3-14(19)15(20)9-13/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLRMAQRIIEBAQBT-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.13
Rot. Bonds5

About 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109330341) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109330341
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccncc2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H15F2N5O/c1-11-8-16(17(26)22-10-12-4-6-21-7-5-12)25-18(23-11)24-13-2-3-14(19)15(20)9-13/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLRMAQRIIEBAQBT-UHFFFAOYSA-N
XLogP3.13
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330048
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
N-[(4-chlorophenyl)methyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109329082
2-(3,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336630
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
2-(2-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330039
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338103
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109330341) is 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccncc2)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is LRMAQRIIEBAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-11-8-16(17(26)22-10-12-4-6-21-7-5-12)25-18(23-11)24-13-2-3-14(19)15(20)9-13/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).