N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C18H15F2N5O — CID 109371322

IUPACN-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccncc2)cc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N5O/c1-11-23-15(18(26)25-17-13(19)3-2-4-14(17)20)9-16(24-11)22-10-12-5-7-21-8-6-12/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyWBGNONJOTNGXMT-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.32
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371322) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371322
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccncc2)cc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N5O/c1-11-23-15(18(26)25-17-13(19)3-2-4-14(17)20)9-16(24-11)22-10-12-5-7-21-8-6-12/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyWBGNONJOTNGXMT-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(pyridin-4-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109371257
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850806
N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369606
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371210
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369791

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109371322) is N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCc2ccncc2)cc(C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is WBGNONJOTNGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-11-23-15(18(26)25-17-13(19)3-2-4-14(17)20)9-16(24-11)22-10-12-5-7-21-8-6-12/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).