1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one

C24H22FN7O2 — CID 158228448

IUPAC1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1F
InChIInChI=1S/C24H22FN7O2/c1-14(33)9-15-3-2-4-18(20(15)25)16-10-19-21(27-11-16)23(32-5-7-34-8-6-32)31-22(30-19)17-12-28-24(26)29-13-17/h2-4,10-13H,5-9H2,1H3,(H2,26,28,29)
InChIKeyGEBYKDKMRWDOHI-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.84
Rot. Bonds5

About 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one

1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one (PubChem CID 158228448) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one
PubChem CID158228448
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1F
InChIInChI=1S/C24H22FN7O2/c1-14(33)9-15-3-2-4-18(20(15)25)16-10-19-21(27-11-16)23(32-5-7-34-8-6-32)31-22(30-19)17-12-28-24(26)29-13-17/h2-4,10-13H,5-9H2,1H3,(H2,26,28,29)
InChIKeyGEBYKDKMRWDOHI-UHFFFAOYSA-N
XLogP2.84
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
N-methyl-4-[[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 137641431
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-9-methyl-6-morpholin-4-ylmethyl-9H-1,5,7,9-tetraaza-fluorene-4-carboxylic acid amide
CID 11295806
4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]morpholine
CID 11454703
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one?
The IUPAC name of 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one (CID 158228448) is 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one.
What is the SMILES notation for 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one?
The canonical SMILES for 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one is CC(=O)Cc1cccc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1F.
What is the InChIKey of 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one?
The InChIKey is GEBYKDKMRWDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-14(33)9-15-3-2-4-18(20(15)25)16-10-19-21(27-11-16)23(32-5-7-34-8-6-32)31-22(30-19)17-12-28-24(26)29-13-17/h2-4,10-13H,5-9H2,1H3,(H2,26,28,29).
What are the key properties of 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one?
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one has a molecular weight of 459.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one is sourced from PubChem (CID 158228448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).