4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide

About 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide

4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide (PubChem CID 159562333) has the molecular formula C29H40N6O3 and a molecular weight of 520.68 g/mol. Its IUPAC name is 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name	4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide
PubChem CID	159562333
Molecular Formula	C29H40N6O3
Molecular Weight	520.68 g/mol
Exact Mass	520.32
IUPAC Name	4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide
SMILES	C=CC(=O)N(CC)CCC.CN(C)CCOc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2
InChI	InChI=1S/C21H25N5O2.C8H15NO/c1-25(2)9-10-28-21-23-18-13-26(8-7-17(18)20(22)24-21)19-12-15(27)11-14-5-3-4-6-16(14)19;1-4-7-9(6-3)8(10)5-2/h3-6,11-12,27H,7-10,13H2,1-2H3,(H2,22,23,24);5H,2,4,6-7H2,1,3H3
InChIKey	MGTXDMJORIXBOT-UHFFFAOYSA-N
XLogP	3.85
TPSA	108.05 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.68
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide?

The IUPAC name of 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide (CID 159562333) is 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide.

What is the SMILES notation for 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide?

The canonical SMILES for 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide is C=CC(=O)N(CC)CCC.CN(C)CCOc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.

What is the InChIKey of 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide?

The InChIKey is MGTXDMJORIXBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.C8H15NO/c1-25(2)9-10-28-21-23-18-13-26(8-7-17(18)20(22)24-21)19-12-15(27)11-14-5-3-4-6-16(14)19;1-4-7-9(6-3)8(10)5-2/h3-6,11-12,27H,7-10,13H2,1-2H3,(H2,22,23,24);5H,2,4,6-7H2,1,3H3.

What are the key properties of 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide?

4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide has a molecular weight of 520.68 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide is sourced from PubChem (CID 159562333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).