2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one

C25H33N5O4 — CID 10276758

IUPAC2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCOc1ccc(Nc2ncc3ccc(=O)n(CCCOC4CCCCO4)c3n2)cc1
InChIInChI=1S/C25H33N5O4/c1-29(2)14-17-32-21-10-8-20(9-11-21)27-25-26-18-19-7-12-22(31)30(24(19)28-25)13-5-16-34-23-6-3-4-15-33-23/h7-12,18,23H,3-6,13-17H2,1-2H3,(H,26,27,28)
InChIKeyGJYUTMWCBQLQJC-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.41
Rot. Bonds11

About 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one

2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10276758) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID10276758
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCOc1ccc(Nc2ncc3ccc(=O)n(CCCOC4CCCCO4)c3n2)cc1
InChIInChI=1S/C25H33N5O4/c1-29(2)14-17-32-21-10-8-20(9-11-21)27-25-26-18-19-7-12-22(31)30(24(19)28-25)13-5-16-34-23-6-3-4-15-33-23/h7-12,18,23H,3-6,13-17H2,1-2H3,(H,26,27,28)
InChIKeyGJYUTMWCBQLQJC-UHFFFAOYSA-N
XLogP3.41
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one
CID 21073385
8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374814
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425
8-butyl-2-[4-chloro-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10157613
2-(4-aminoanilino)-8-[2-(azetidin-3-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 162109809
1-(oxan-2-yl)-7-[4-[[9-(oxan-2-yl)purin-2-yl]amino]phenoxy]heptan-1-one
CID 126706153
8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330206
8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998
2-(4-hydroxy-3,5-dimethylanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70113254
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one (CID 10276758) is 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one is CN(C)CCOc1ccc(Nc2ncc3ccc(=O)n(CCCOC4CCCCO4)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GJYUTMWCBQLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-29(2)14-17-32-21-10-8-20(9-11-21)27-25-26-18-19-7-12-22(31)30(24(19)28-25)13-5-16-34-23-6-3-4-15-33-23/h7-12,18,23H,3-6,13-17H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one?
2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 467.57 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10276758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).