1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one

C16H13FN4O — CID 157169843

IUPAC1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C16H13FN4O/c1-2-14(22)10-5-9(6-11(17)7-10)12-3-4-13-15(21-12)16(18)20-8-19-13/h3-8H,2H2,1H3,(H2,18,19,20)
InChIKeyBEXOMHLCLNCRCW-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.01
Rot. Bonds3

About 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one

1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one (PubChem CID 157169843) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one
PubChem CID157169843
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C16H13FN4O/c1-2-14(22)10-5-9(6-11(17)7-10)12-3-4-13-15(21-12)16(18)20-8-19-13/h3-8H,2H2,1H3,(H2,18,19,20)
InChIKeyBEXOMHLCLNCRCW-UHFFFAOYSA-N
XLogP3.01
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 90054705
3-aminocyclobutan-1-ol;3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorobenzoic acid;bis(1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(3-hydroxycyclobutyl)ethanone)
CID 157049538
1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide
CID 90054899
6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 122602509
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 172841370
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017363
4-amino-6-[3-fluoro-5-[1-piperidin-1-yl-2-(sulfinoamino)ethyl]phenyl]pyrido[3,2-d]pyrimidine
CID 146500916
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 122602546
2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-methylanilino]ethanol
CID 90017192
1-[4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperazin-1-yl]-2-methylpropan-1-one;6-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 157237091
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride
CID 122602468
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 86703912

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one?
The IUPAC name of 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one (CID 157169843) is 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one?
The canonical SMILES for 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one is CCC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one?
The InChIKey is BEXOMHLCLNCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-2-14(22)10-5-9(6-11(17)7-10)12-3-4-13-15(21-12)16(18)20-8-19-13/h3-8H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one?
1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one has a molecular weight of 296.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one is sourced from PubChem (CID 157169843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).