1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea

C20H15FN6O2 — CID 11406634

IUPAC1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea
SMILESNc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H15FN6O2/c21-14-3-1-2-4-15(14)26-20(29)25-12-5-7-13(8-6-12)27-10-9-16(28)17-18(22)23-11-24-19(17)27/h1-11H,(H2,22,23,24)(H2,25,26,29)
InChIKeyUAIFUOJEMCYFNU-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.15
Rot. Bonds3

About 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea

1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea (PubChem CID 11406634) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea
PubChem CID11406634
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea
SMILESNc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H15FN6O2/c21-14-3-1-2-4-15(14)26-20(29)25-12-5-7-13(8-6-12)27-10-9-16(28)17-18(22)23-11-24-19(17)27/h1-11H,(H2,22,23,24)(H2,25,26,29)
InChIKeyUAIFUOJEMCYFNU-UHFFFAOYSA-N
XLogP3.15
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2,4-difluorophenyl)urea
CID 11395695
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11339648
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-fluoro-6-(trifluoromethyl)phenyl]urea
CID 11178601
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11487494
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)urea
CID 11385235
4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one
CID 68561547
4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one
CID 143128155
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[6-[2-(3-methoxypropylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]urea
CID 68560080
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 11569537
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 166169667

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea (CID 11406634) is 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea is Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea?
The InChIKey is UAIFUOJEMCYFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c21-14-3-1-2-4-15(14)26-20(29)25-12-5-7-13(8-6-12)27-10-9-16(28)17-18(22)23-11-24-19(17)27/h1-11H,(H2,22,23,24)(H2,25,26,29).
What are the key properties of 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea?
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 390.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 11406634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).