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

C20H26N4O3 — CID 162646660

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C20H26N4O3/c1-4-6-21-20-22-10-13-11-24(7-5-16(13)23-20)19(27)15-8-14(12(2)3)17(25)9-18(15)26/h8-10,12,25-26H,4-7,11H2,1-3H3,(H,21,22,23)
InChIKeyVTBPYQTUPHELII-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds5

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 162646660) 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-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID162646660
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C20H26N4O3/c1-4-6-21-20-22-10-13-11-24(7-5-16(13)23-20)19(27)15-8-14(12(2)3)17(25)9-18(15)26/h8-10,12,25-26H,4-7,11H2,1-3H3,(H,21,22,23)
InChIKeyVTBPYQTUPHELII-UHFFFAOYSA-N
XLogP3.03
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 162646660) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-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-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCCNc1ncc2c(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-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is VTBPYQTUPHELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-6-21-20-22-10-13-11-24(7-5-16(13)23-20)19(27)15-8-14(12(2)3)17(25)9-18(15)26/h8-10,12,25-26H,4-7,11H2,1-3H3,(H,21,22,23).
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(propylamino)-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, 5 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-(propylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 162646660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).