1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one

C18H28N4O2 — CID 7283607

IUPAC1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCc2nc(C)nc(N3CCOCC3)c2C1
InChIInChI=1S/C18H28N4O2/c1-3-4-5-6-17(23)22-8-7-16-15(13-22)18(20-14(2)19-16)21-9-11-24-12-10-21/h3-13H2,1-2H3
InChIKeyRAENTWNSEAHZOF-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.09
Rot. Bonds5

About 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one

1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one (PubChem CID 7283607) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
PubChem CID7283607
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCc2nc(C)nc(N3CCOCC3)c2C1
InChIInChI=1S/C18H28N4O2/c1-3-4-5-6-17(23)22-8-7-16-15(13-22)18(20-14(2)19-16)21-9-11-24-12-10-21/h3-13H2,1-2H3
InChIKeyRAENTWNSEAHZOF-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
The IUPAC name of 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one (CID 7283607) is 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one.
What is the SMILES notation for 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
The canonical SMILES for 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one is CCCCCC(=O)N1CCc2nc(C)nc(N3CCOCC3)c2C1.
What is the InChIKey of 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
The InChIKey is RAENTWNSEAHZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-4-5-6-17(23)22-8-7-16-15(13-22)18(20-14(2)19-16)21-9-11-24-12-10-21/h3-13H2,1-2H3.
What are the key properties of 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one has a molecular weight of 332.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one is sourced from PubChem (CID 7283607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).