N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide

C20H18F2N4O — CID 109306869

IUPACN-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C20H18F2N4O/c1-2-26(13-14-6-4-3-5-7-14)19(27)18-10-11-23-20(25-18)24-17-9-8-15(21)12-16(17)22/h3-12H,2,13H2,1H3,(H,23,24,25)
InChIKeyUDUVHDSYOOTPSG-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.16
Rot. Bonds6

About N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide

N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide (PubChem CID 109306869) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
PubChem CID109306869
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C20H18F2N4O/c1-2-26(13-14-6-4-3-5-7-14)19(27)18-10-11-23-20(25-18)24-17-9-8-15(21)12-16(17)22/h3-12H,2,13H2,1H3,(H,23,24,25)
InChIKeyUDUVHDSYOOTPSG-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157649
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307146
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide (CID 109306869) is N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is UDUVHDSYOOTPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-2-26(13-14-6-4-3-5-7-14)19(27)18-10-11-23-20(25-18)24-17-9-8-15(21)12-16(17)22/h3-12H,2,13H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide?
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109306869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).