[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone

C20H24N4O2 — CID 95723300

IUPAC[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@@H]1CCOC1)C2
InChIInChI=1S/C20H24N4O2/c1-23(2)19-16-8-10-24(20(25)15-9-11-26-13-15)12-17(16)21-18(22-19)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-/m1/s1
InChIKeyDUCAIZUYECQHSW-OAHLLOKOSA-N
MW352.44 g/mol
LogP2.13
Rot. Bonds3

About [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone

[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 95723300) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID95723300
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@@H]1CCOC1)C2
InChIInChI=1S/C20H24N4O2/c1-23(2)19-16-8-10-24(20(25)15-9-11-26-13-15)12-17(16)21-18(22-19)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-/m1/s1
InChIKeyDUCAIZUYECQHSW-OAHLLOKOSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56905451
cyclobutyl-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56873975
[4-(dimethylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(oxolan-3-yl)methanone
CID 131650933
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
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
CID 56865520
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)-(oxolan-3-yl)methanone
CID 146040428
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone
CID 95711850
(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone
CID 56882203
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199
1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
CID 56895395

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone (CID 95723300) is [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone is CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@@H]1CCOC1)C2.
What is the InChIKey of [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is DUCAIZUYECQHSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(2)19-16-8-10-24(20(25)15-9-11-26-13-15)12-17(16)21-18(22-19)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone?
[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 95723300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).