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

C13H20N4O — CID 68679098

IUPAC1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCc2nc(N)ncc2C1
InChIInChI=1S/C13H20N4O/c1-2-3-4-5-12(18)17-7-6-11-10(9-17)8-15-13(14)16-11/h8H,2-7,9H2,1H3,(H2,14,15,16)
InChIKeyKDSXVSBIYVVJIF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds4

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

1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one (PubChem CID 68679098) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
PubChem CID68679098
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCc2nc(N)ncc2C1
InChIInChI=1S/C13H20N4O/c1-2-3-4-5-12(18)17-7-6-11-10(9-17)8-15-13(14)16-11/h8H,2-7,9H2,1H3,(H2,14,15,16)
InChIKeyKDSXVSBIYVVJIF-UHFFFAOYSA-N
XLogP1.52
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 143852547
1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 95850645
1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione
CID 166339403
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
CID 126838819
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
(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 154799814
1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one
CID 42788543
1-(5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)decan-1-one
CID 19600095
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
3-hydroxy-1-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 129100147

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
The IUPAC name of 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one (CID 68679098) is 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one.
What is the SMILES notation for 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
The canonical SMILES for 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one is CCCCCC(=O)N1CCc2nc(N)ncc2C1.
What is the InChIKey of 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
The InChIKey is KDSXVSBIYVVJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-4-5-12(18)17-7-6-11-10(9-17)8-15-13(14)16-11/h8H,2-7,9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one?
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one is sourced from PubChem (CID 68679098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).