2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one

C26H23FN8O — CID 123368460

IUPAC2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one
SMILESCCC(Nc1nc(N)ncc1-c1cncc(N)c1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H23FN8O/c1-2-20(32-23-18(14-31-26(29)34-23)15-11-16(28)13-30-12-15)24-33-21-10-6-9-19(27)22(21)25(36)35(24)17-7-4-3-5-8-17/h3-14,20H,2,28H2,1H3,(H3,29,31,32,34)
InChIKeyNQMOTSCDBWCTBT-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.10
Rot. Bonds6

About 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one

2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one (PubChem CID 123368460) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one
PubChem CID123368460
Molecular FormulaC26H23FN8O
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC Name2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one
SMILESCCC(Nc1nc(N)ncc1-c1cncc(N)c1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H23FN8O/c1-2-20(32-23-18(14-31-26(29)34-23)15-11-16(28)13-30-12-15)24-33-21-10-6-9-19(27)22(21)25(36)35(24)17-7-4-3-5-8-17/h3-14,20H,2,28H2,1H3,(H3,29,31,32,34)
InChIKeyNQMOTSCDBWCTBT-UHFFFAOYSA-N
XLogP4.10
TPSA137.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[[2-amino-5-(5-propylsulfonyl-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one
CID 90277251
5-[2-amino-4-[1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propylamino]pyrimidin-5-yl]-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 76901005
N-tert-butyl-5-[4-[1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propylamino]-2-(2-methoxyethylamino)pyrimidin-5-yl]pyridine-3-sulfonamide
CID 76901008
5-fluoro-3-phenyl-2-[(1S)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propyl]quinazolin-4-one
CID 147972305
5-chloro-2-[1-[(5-fluoroquinazolin-4-yl)amino]propyl]-3-phenylquinazolin-4-one
CID 155191460
2-[(1R)-1-[[2-amino-5-(5-methylsulfonyl-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 118494098
5-fluoro-2-[1-[[5-iodo-2-(pyridin-2-ylamino)pyrimidin-4-yl]amino]propyl]-3-phenylquinazolin-4-one
CID 90277242
5-fluoro-3-phenyl-2-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)propyl]quinazolin-4-one
CID 86272385
2-[(1S)-1-[[6-amino-5-(2,3-dimethyl-1,3-dihydro-1,2,4-triazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one
CID 163892516
5-fluoro-2-[(1S)-1-(1H-indol-4-ylamino)propyl]-3-phenylquinazolin-4-one
CID 129166392
2-[(1S)-1-[[2-amino-5-(furan-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 118494066
6-[2-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-N-hydroxyhexanamide
CID 142506119

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one (CID 123368460) is 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one is CCC(Nc1nc(N)ncc1-c1cncc(N)c1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one?
The InChIKey is NQMOTSCDBWCTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-2-20(32-23-18(14-31-26(29)34-23)15-11-16(28)13-30-12-15)24-33-21-10-6-9-19(27)22(21)25(36)35(24)17-7-4-3-5-8-17/h3-14,20H,2,28H2,1H3,(H3,29,31,32,34).
What are the key properties of 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one?
2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one has a molecular weight of 482.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-amino-5-(5-amino-3-pyridinyl)pyrimidin-4-yl]amino]propyl]-5-fluoro-3-phenylquinazolin-4-one is sourced from PubChem (CID 123368460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).