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

C24H21F2N7O2 — CID 153273544

IUPAC1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one
SMILESCC(=O)Cc1ccc(F)c(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1F
InChIInChI=1S/C24H21F2N7O2/c1-13(34)8-14-2-3-17(25)19(20(14)26)15-9-18-21(28-10-15)23(33-4-6-35-7-5-33)32-22(31-18)16-11-29-24(27)30-12-16/h2-3,9-12H,4-8H2,1H3,(H2,27,29,30)
InChIKeyWXPINUUPEXSDAJ-UHFFFAOYSA-N
MW477.48 g/mol
LogP2.98
Rot. Bonds5

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

1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one (PubChem CID 153273544) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one
PubChem CID153273544
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one
SMILESCC(=O)Cc1ccc(F)c(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)c1F
InChIInChI=1S/C24H21F2N7O2/c1-13(34)8-14-2-3-17(25)19(20(14)26)15-9-18-21(28-10-15)23(33-4-6-35-7-5-33)32-22(31-18)16-11-29-24(27)30-12-16/h2-3,9-12H,4-8H2,1H3,(H2,27,29,30)
InChIKeyWXPINUUPEXSDAJ-UHFFFAOYSA-N
XLogP2.98
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]-2,4-difluorophenyl]propan-2-one?
The IUPAC name of 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one (CID 153273544) is 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]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]-2,4-difluorophenyl]propan-2-one?
The canonical SMILES for 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one is CC(=O)Cc1ccc(F)c(-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]-2,4-difluorophenyl]propan-2-one?
The InChIKey is WXPINUUPEXSDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c1-13(34)8-14-2-3-17(25)19(20(14)26)15-9-18-21(28-10-15)23(33-4-6-35-7-5-33)32-22(31-18)16-11-29-24(27)30-12-16/h2-3,9-12H,4-8H2,1H3,(H2,27,29,30).
What are the key properties of 1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one?
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one has a molecular weight of 477.48 g/mol, XLogP of 2.98, 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]-2,4-difluorophenyl]propan-2-one is sourced from PubChem (CID 153273544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).