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

C20H28N6O — CID 56889598

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

1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 56889598) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
• PubChem CID: 56889598
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
• SMILES: CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(Cc1ccncc1)CC2
• InChI: InChI=1S/C20H28N6O/c1-24(2)20-22-18-7-10-25(13-15-3-8-21-9-4-15)14-17(18)19(23-20)26-11-5-16(27)6-12-26/h3-4,8-9,16,27H,5-7,10-14H2,1-2H3
• InChIKey: WJLBTVUIRJCFPP-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 56889598) is 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol.

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

The canonical SMILES for 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(Cc1ccncc1)CC2.

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

The InChIKey is WJLBTVUIRJCFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24(2)20-22-18-7-10-25(13-15-3-8-21-9-4-15)14-17(18)19(23-20)26-11-5-16(27)6-12-26/h3-4,8-9,16,27H,5-7,10-14H2,1-2H3.

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

1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 368.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56889598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).