1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione

C17H26N4O2 — CID 166339403

IUPAC1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione
SMILESCN(C)c1ncc2c(n1)CCN(C(=O)CCC(=O)C(C)(C)C)C2
InChIInChI=1S/C17H26N4O2/c1-17(2,3)14(22)6-7-15(23)21-9-8-13-12(11-21)10-18-16(19-13)20(4)5/h10H,6-9,11H2,1-5H3
InChIKeyCGEQQOZNIFARBL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione

1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione (PubChem CID 166339403) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione
PubChem CID166339403
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione
SMILESCN(C)c1ncc2c(n1)CCN(C(=O)CCC(=O)C(C)(C)C)C2
InChIInChI=1S/C17H26N4O2/c1-17(2,3)14(22)6-7-15(23)21-9-8-13-12(11-21)10-18-16(19-13)20(4)5/h10H,6-9,11H2,1-5H3
InChIKeyCGEQQOZNIFARBL-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione with MolForge

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 175335579
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 68679098
[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111095
N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167790957
4-(azepan-1-yl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92607989
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-[butyl(methyl)amino]propan-1-one
CID 108732222
3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
CID 59766994
3-hydroxy-1-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 129100147
1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 95850645
tert-butyl 2-[[2-methoxyethyl(methyl)amino]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 20825942
1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 110240662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione?
The IUPAC name of 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione (CID 166339403) is 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione.
What is the SMILES notation for 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione?
The canonical SMILES for 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione is CN(C)c1ncc2c(n1)CCN(C(=O)CCC(=O)C(C)(C)C)C2.
What is the InChIKey of 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione?
The InChIKey is CGEQQOZNIFARBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)14(22)6-7-15(23)21-9-8-13-12(11-21)10-18-16(19-13)20(4)5/h10H,6-9,11H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione?
1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione has a molecular weight of 318.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione is sourced from PubChem (CID 166339403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).