5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one

C20H15ClF2N4O — CID 134290723

IUPAC5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(Cl)cn2Cc2cc(F)cc(F)c2)c2cc[nH]c2c1
InChIInChI=1S/C20H15ClF2N4O/c1-11-4-17-15(2-3-24-17)18(5-11)25-20-26-19(28)16(21)10-27(20)9-12-6-13(22)8-14(23)7-12/h2-8,10,24H,9H2,1H3,(H,25,26,28)
InChIKeyIKJFTURQZBWRRK-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.76
Rot. Bonds4

About 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one

5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one (PubChem CID 134290723) has the molecular formula C20H15ClF2N4O and a molecular weight of 400.82 g/mol. Its IUPAC name is 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
PubChem CID134290723
Molecular FormulaC20H15ClF2N4O
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(Cl)cn2Cc2cc(F)cc(F)c2)c2cc[nH]c2c1
InChIInChI=1S/C20H15ClF2N4O/c1-11-4-17-15(2-3-24-17)18(5-11)25-20-26-19(28)16(21)10-27(20)9-12-6-13(22)8-14(23)7-12/h2-8,10,24H,9H2,1H3,(H,25,26,28)
InChIKeyIKJFTURQZBWRRK-UHFFFAOYSA-N
XLogP4.76
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one with MolForge

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Related Compounds

3-1H-indol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 10314759
1-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-1H-indol-4-ylurea
CID 10338001
2-amino-6-(2-(1H-indol-6-yl)ethyl)pyrimidin-4(3H)-one
CID 135424789
1-[(3-fluorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768221
1-[(4-fluorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768222
4-(1H-indol-6-ylmethylamino)-6-(2-methyl-6-phenyl-anilino)-1,3,5-triazin-2-ol
CID 136032570
N-[3-[[2-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenyl]acetamide
CID 155567663
2-Amino-6-[2-(1H-indol-6-yl)ethyl]-3-methylpyrimidin-4(3H)-one
CID 11565240
1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 134290344
1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(2-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 134290547
1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 134290699
3-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 134290894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
The IUPAC name of 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one (CID 134290723) is 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
The canonical SMILES for 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one is Cc1cc(Nc2nc(=O)c(Cl)cn2Cc2cc(F)cc(F)c2)c2cc[nH]c2c1.
What is the InChIKey of 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
The InChIKey is IKJFTURQZBWRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O/c1-11-4-17-15(2-3-24-17)18(5-11)25-20-26-19(28)16(21)10-27(20)9-12-6-13(22)8-14(23)7-12/h2-8,10,24H,9H2,1H3,(H,25,26,28).
What are the key properties of 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one has a molecular weight of 400.82 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3,5-difluorophenyl)methyl]-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134290723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).