1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide

C23H20F2N6O2 — CID 67477894

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
SMILESCN(C)c1ncnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIInChI=1S/C23H20F2N6O2/c1-30(2)21-16-7-14(4-6-20(16)28-12-29-21)9-27-22(32)17-10-26-13-31(23(17)33)11-15-3-5-18(24)19(25)8-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,32)
InChIKeyRNSBSGVABASGQV-UHFFFAOYSA-N
MW450.45 g/mol
LogP2.51
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide (PubChem CID 67477894) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
PubChem CID67477894
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
SMILESCN(C)c1ncnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIInChI=1S/C23H20F2N6O2/c1-30(2)21-16-7-14(4-6-20(16)28-12-29-21)9-27-22(32)17-10-26-13-31(23(17)33)11-15-3-5-18(24)19(25)8-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,32)
InChIKeyRNSBSGVABASGQV-UHFFFAOYSA-N
XLogP2.51
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxamide
CID 67477985
1-[(3,4-difluorophenyl)methyl]-N-[[4-[3-(dimethylamino)propoxy]quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477819
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-[[4-(1H-pyrazol-4-yl)quinazolin-6-yl]methyl]pyrimidine-5-carboxamide
CID 67477873
1-[(3,4-difluorophenyl)methyl]-N-[[4-[3-(dimethylamino)propylamino]quinolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477954
6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide
CID 67477766
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-[3-(4-phenylquinazolin-6-yl)prop-2-ynyl]pyrimidine-5-carboxamide
CID 67476350
1-[(3,4-difluorophenyl)methyl]-N-[[3-[(1-methylpiperidin-3-yl)amino]quinoxalin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477945
1-[(3,4-difluorophenyl)methyl]-N-[[3-[(1-ethylpiperidin-4-yl)amino]quinolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477966
1-[(3,4-difluorophenyl)methyl]-N-[3-[3-[2-(dimethylamino)ethyl-methylamino]quinoxalin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476171
6-chloro-2-[(3,4-difluorophenyl)methyl]-N-[[4-(methylamino)quinazolin-6-yl]methyl]-3-oxopyridazine-4-carboxamide
CID 67477865
2-[(3,4-difluorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-N-[[4-(methylamino)quinazolin-6-yl]methyl]-3-oxopyridazine-4-carboxamide
CID 67477912
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide (CID 67477894) is 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide is CN(C)c1ncnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide?
The InChIKey is RNSBSGVABASGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-30(2)21-16-7-14(4-6-20(16)28-12-29-21)9-27-22(32)17-10-26-13-31(23(17)33)11-15-3-5-18(24)19(25)8-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,32).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 67477894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).