6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H28N4O2 — CID 135719711

IUPAC6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCN(CC)c1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)c(OC)c1
InChIInChI=1S/C20H28N4O2/c1-5-24(6-2)16-8-7-15(19(11-16)26-4)12-23-10-9-18-17(13-23)20(25)22-14(3)21-18/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,21,22,25)
InChIKeyXOLTUTHCYWAOAS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.49
Rot. Bonds6

About 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135719711) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135719711
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCN(CC)c1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)c(OC)c1
InChIInChI=1S/C20H28N4O2/c1-5-24(6-2)16-8-7-15(19(11-16)26-4)12-23-10-9-18-17(13-23)20(25)22-14(3)21-18/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,21,22,25)
InChIKeyXOLTUTHCYWAOAS-UHFFFAOYSA-N
XLogP2.49
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135719711) is 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCN(CC)c1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)c(OC)c1.
What is the InChIKey of 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XOLTUTHCYWAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-24(6-2)16-8-7-15(19(11-16)26-4)12-23-10-9-18-17(13-23)20(25)22-14(3)21-18/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,21,22,25).
What are the key properties of 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 356.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(diethylamino)-2-methoxyphenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135719711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).