(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C20H26N4O3 — CID 162655774

About (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 162655774) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
• PubChem CID: 162655774
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
• SMILES: CC(C)Nc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
• InChI: InChI=1S/C20H26N4O3/c1-11(2)14-7-15(18(26)8-17(14)25)19(27)24-6-5-16-13(10-24)9-21-20(23-16)22-12(3)4/h7-9,11-12,25-26H,5-6,10H2,1-4H3,(H,21,22,23)
• InChIKey: WZMGTHMVDWUUQT-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 98.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?

The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 162655774) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?

The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)Nc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2.

What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?

The InChIKey is WZMGTHMVDWUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-11(2)14-7-15(18(26)8-17(14)25)19(27)24-6-5-16-13(10-24)9-21-20(23-16)22-12(3)4/h7-9,11-12,25-26H,5-6,10H2,1-4H3,(H,21,22,23).

What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 162655774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).