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

C17H26N4O2 — CID 42786456

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(C)nc(N3CC(C)OC(C)C3)c2C1
InChIInChI=1S/C17H26N4O2/c1-5-16(22)20-7-6-15-14(10-20)17(19-13(4)18-15)21-8-11(2)23-12(3)9-21/h11-12H,5-10H2,1-4H3
InChIKeyFUGFJAPTAXPALV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.69
Rot. Bonds2

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

1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 42786456) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID42786456
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(C)nc(N3CC(C)OC(C)C3)c2C1
InChIInChI=1S/C17H26N4O2/c1-5-16(22)20-7-6-15-14(10-20)17(19-13(4)18-15)21-8-11(2)23-12(3)9-21/h11-12H,5-10H2,1-4H3
InChIKeyFUGFJAPTAXPALV-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 42786456) is 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is CCC(=O)N1CCc2nc(C)nc(N3CC(C)OC(C)C3)c2C1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is FUGFJAPTAXPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-16(22)20-7-6-15-14(10-20)17(19-13(4)18-15)21-8-11(2)23-12(3)9-21/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 42786456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).