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

C16H19N5O2 — CID 56895395

IUPAC1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
SMILESCN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C16H19N5O2/c1-20(2)16-12-5-7-21(14(23)10-22)9-13(12)18-15(19-16)11-4-3-6-17-8-11/h3-4,6,8,22H,5,7,9-10H2,1-2H3
InChIKeyADBFKVQSMYUFHD-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.48
Rot. Bonds3

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

1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone (PubChem CID 56895395) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
PubChem CID56895395
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
SMILESCN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C16H19N5O2/c1-20(2)16-12-5-7-21(14(23)10-22)9-13(12)18-15(19-16)11-4-3-6-17-8-11/h3-4,6,8,22H,5,7,9-10H2,1-2H3
InChIKeyADBFKVQSMYUFHD-UHFFFAOYSA-N
XLogP0.48
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
CID 56917154
cyclobutyl-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56873975
1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one
CID 56866999
2-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile
CID 56874831
[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-fluoro-4-methylphenyl)methanone
CID 56872654
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
CID 56865520
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
CID 56865271
cyclobutyl-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56905451
1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
CID 56875975
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one
CID 56899554
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56862725
(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 95403118

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone (CID 56895395) is 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone is CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CO)C2.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone?
The InChIKey is ADBFKVQSMYUFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20(2)16-12-5-7-21(14(23)10-22)9-13(12)18-15(19-16)11-4-3-6-17-8-11/h3-4,6,8,22H,5,7,9-10H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone?
1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone has a molecular weight of 313.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone is sourced from PubChem (CID 56895395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).