3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol

C20H21N5O2 — CID 4970536

About 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol

3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4970536) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

• Compound Name: 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
• PubChem CID: 4970536
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
• SMILES: [H]/N=c1/c2c(ncn1CCN(C)C)Oc1cc(O)ccc1C2c1cccnc1
• InChI: InChI=1S/C20H21N5O2/c1-24(2)8-9-25-12-23-20-18(19(25)21)17(13-4-3-7-22-11-13)15-6-5-14(26)10-16(15)27-20/h3-7,10-12,17,21,26H,8-9H2,1-2H3/b21-19-
• InChIKey: VWGMUHKFISOFLK-VZCXRCSSSA-N
• XLogP: 2.31
• TPSA: 87.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?

The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4970536) is 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.

What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?

The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCN(C)C)Oc1cc(O)ccc1C2c1cccnc1.

What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?

The InChIKey is VWGMUHKFISOFLK-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(2)8-9-25-12-23-20-18(19(25)21)17(13-4-3-7-22-11-13)15-6-5-14(26)10-16(15)27-20/h3-7,10-12,17,21,26H,8-9H2,1-2H3/b21-19-.

What are the key properties of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?

3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 363.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4970536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).