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

C17H21N5O2 — CID 56875975

IUPAC1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
SMILESCN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)CCO)C2
InChIInChI=1S/C17H21N5O2/c1-21(2)17-12-6-9-22(15(24)7-10-23)11-14(12)19-16(20-17)13-5-3-4-8-18-13/h3-5,8,23H,6-7,9-11H2,1-2H3
InChIKeyVTAIFWOXPGORHU-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.87
Rot. Bonds4

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

1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one (PubChem CID 56875975) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
PubChem CID56875975
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
SMILESCN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)CCO)C2
InChIInChI=1S/C17H21N5O2/c1-21(2)17-12-6-9-22(15(24)7-10-23)11-14(12)19-16(20-17)13-5-3-4-8-18-13/h3-5,8,23H,6-7,9-11H2,1-2H3
InChIKeyVTAIFWOXPGORHU-UHFFFAOYSA-N
XLogP0.87
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone
CID 56876767
[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 56864475
(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56873381
(2S)-1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyrazol-1-ylpropan-1-one
CID 95715895
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
CID 56865520
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
CID 56895395
4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
CID 56917154
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56861041
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
CID 56865271
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56862725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one (CID 56875975) is 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one is CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)CCO)C2.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
The InChIKey is VTAIFWOXPGORHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(2)17-12-6-9-22(15(24)7-10-23)11-14(12)19-16(20-17)13-5-3-4-8-18-13/h3-5,8,23H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one has a molecular weight of 327.39 g/mol, XLogP of 0.87, 4 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-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 56875975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).