3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol

C23H19N3O4 — CID 4274338

About 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol

3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4274338) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

• Compound Name: 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
• PubChem CID: 4274338
• Molecular Formula: C23H19N3O4
• Molecular Weight: 401.42 g/mol
• Exact Mass: 401.14
• IUPAC Name: 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
• SMILES: [H]/N=c1/c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1C2c1ccc(OC)cc1
• InChI: InChI=1S/C23H19N3O4/c1-28-16-7-4-14(5-8-16)20-18-9-6-15(27)11-19(18)30-23-21(20)22(24)26(13-25-23)12-17-3-2-10-29-17/h2-11,13,20,24,27H,12H2,1H3/b24-22-
• InChIKey: GYYUXKHWQZZHJK-GYHWCHFESA-N
• XLogP: 4.00
• TPSA: 93.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?

The IUPAC name of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4274338) is 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.

What is the SMILES notation for 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?

The canonical SMILES for 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1C2c1ccc(OC)cc1.

What is the InChIKey of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?

The InChIKey is GYYUXKHWQZZHJK-GYHWCHFESA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-16-7-4-14(5-8-16)20-18-9-6-15(27)11-19(18)30-23-21(20)22(24)26(13-25-23)12-17-3-2-10-29-17/h2-11,13,20,24,27H,12H2,1H3/b24-22-.

What are the key properties of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?

3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 401.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4274338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).