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

C17H21N5O2 — CID 56862620

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

1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one (PubChem CID 56862620) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one
• PubChem CID: 56862620
• Molecular Formula: C17H21N5O2
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.17
• IUPAC Name: 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one
• SMILES: CC(O)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
• InChI: InChI=1S/C17H21N5O2/c1-11(23)17(24)22-9-6-13-14(10-22)19-15(20-16(13)21(2)3)12-4-7-18-8-5-12/h4-5,7-8,11,23H,6,9-10H2,1-3H3
• InChIKey: IWYDENKVXJCOMZ-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one?

The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one (CID 56862620) is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one.

What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one?

The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one is CC(O)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1.

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

The InChIKey is IWYDENKVXJCOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(23)17(24)22-9-6-13-14(10-22)19-15(20-16(13)21(2)3)12-4-7-18-8-5-12/h4-5,7-8,11,23H,6,9-10H2,1-3H3.

What are the key properties of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one?

1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one has a molecular weight of 327.39 g/mol, XLogP of 0.87, 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-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 56862620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).