1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one

C18H26N6O — CID 56742152

IUPAC1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1nc(N(C)C)nc2c1CCNC2
InChIInChI=1S/C18H26N6O/c1-13-6-4-7-16(25)24(13)11-5-9-20-17-14-8-10-19-12-15(14)21-18(22-17)23(2)3/h4,6-7,19H,5,8-12H2,1-3H3,(H,20,21,22)
InChIKeyDVFWNEOCFCSOPZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.16
Rot. Bonds6

About 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one

1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one (PubChem CID 56742152) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
PubChem CID56742152
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1nc(N(C)C)nc2c1CCNC2
InChIInChI=1S/C18H26N6O/c1-13-6-4-7-16(25)24(13)11-5-9-20-17-14-8-10-19-12-15(14)21-18(22-17)23(2)3/h4,6-7,19H,5,8-12H2,1-3H3,(H,20,21,22)
InChIKeyDVFWNEOCFCSOPZ-UHFFFAOYSA-N
XLogP1.16
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one (CID 56742152) is 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCCNc1nc(N(C)C)nc2c1CCNC2.
What is the InChIKey of 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
The InChIKey is DVFWNEOCFCSOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-6-4-7-16(25)24(13)11-5-9-20-17-14-8-10-19-12-15(14)21-18(22-17)23(2)3/h4,6-7,19H,5,8-12H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one has a molecular weight of 342.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56742152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).