2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C20H18F2N4O — CID 109306779

IUPAC2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H18F2N4O/c1-2-26(13-14-6-4-3-5-7-14)20-23-11-10-18(25-20)19(27)24-15-8-9-16(21)17(22)12-15/h3-12H,2,13H2,1H3,(H,24,27)
InChIKeyBIDSGBFQQGHOLI-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.03
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109306779) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109306779
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H18F2N4O/c1-2-26(13-14-6-4-3-5-7-14)20-23-11-10-18(25-20)19(27)24-15-8-9-16(21)17(22)12-15/h3-12H,2,13H2,1H3,(H,24,27)
InChIKeyBIDSGBFQQGHOLI-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171589
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109306779) is 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BIDSGBFQQGHOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-2-26(13-14-6-4-3-5-7-14)20-23-11-10-18(25-20)19(27)24-15-8-9-16(21)17(22)12-15/h3-12H,2,13H2,1H3,(H,24,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).