(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one

C19H24N4O2 — CID 95403118

IUPAC(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
SMILESCC[C@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1
InChIInChI=1S/C19H24N4O2/c1-4-16(24)19(25)23-11-10-14-15(12-23)20-17(21-18(14)22(2)3)13-8-6-5-7-9-13/h5-9,16,24H,4,10-12H2,1-3H3/t16-/m0/s1
InChIKeySULMOMKXGSEJKF-INIZCTEOSA-N
MW340.43 g/mol
LogP1.87
Rot. Bonds4

About (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one

(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one (PubChem CID 95403118) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
PubChem CID95403118
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
SMILESCC[C@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1
InChIInChI=1S/C19H24N4O2/c1-4-16(24)19(25)23-11-10-14-15(12-23)20-17(21-18(14)22(2)3)13-8-6-5-7-9-13/h5-9,16,24H,4,10-12H2,1-3H3/t16-/m0/s1
InChIKeySULMOMKXGSEJKF-INIZCTEOSA-N
XLogP1.87
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 95729961
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
(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
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-hydroxypropan-1-one
CID 56862620
cyclobutyl-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56905451
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-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one
CID 56892932
[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
CID 95723300
(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propan-2-yloxypropan-1-one
CID 95486322
(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyrazol-1-ylpropan-1-one
CID 95718382

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one?
The IUPAC name of (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one (CID 95403118) is (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one.
What is the SMILES notation for (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one?
The canonical SMILES for (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one is CC[C@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1.
What is the InChIKey of (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one?
The InChIKey is SULMOMKXGSEJKF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-16(24)19(25)23-11-10-14-15(12-23)20-17(21-18(14)22(2)3)13-8-6-5-7-9-13/h5-9,16,24H,4,10-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one?
(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one has a molecular weight of 340.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one is sourced from PubChem (CID 95403118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).