5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C22H28N6O2 — CID 66959276

IUPAC5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)CCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H28N6O2/c1-26(2)9-8-23-21-20-19(24-15-27(3)22(20)29)14-18(25-21)16-4-6-17(7-5-16)28-10-12-30-13-11-28/h4-7,14-15H,8-13H2,1-3H3,(H,23,25)
InChIKeyYCCZJLKRHQLXBR-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.81
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959276) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959276
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)CCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H28N6O2/c1-26(2)9-8-23-21-20-19(24-15-27(3)22(20)29)14-18(25-21)16-4-6-17(7-5-16)28-10-12-30-13-11-28/h4-7,14-15H,8-13H2,1-3H3,(H,23,25)
InChIKeyYCCZJLKRHQLXBR-UHFFFAOYSA-N
XLogP1.81
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959276) is 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is CN(C)CCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YCCZJLKRHQLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-26(2)9-8-23-21-20-19(24-15-27(3)22(20)29)14-18(25-21)16-4-6-17(7-5-16)28-10-12-30-13-11-28/h4-7,14-15H,8-13H2,1-3H3,(H,23,25).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 408.51 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).