3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol

C17H19N3O2 — CID 24928286

IUPAC3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
SMILESOc1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1O
InChIInChI=1S/C17H19N3O2/c21-15-3-1-2-12(16(15)22)9-20-7-6-14-13(10-20)8-18-17(19-14)11-4-5-11/h1-3,8,11,21-22H,4-7,9-10H2
InChIKeyDWKPJGCQVRIIKB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.32
Rot. Bonds3

About 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol

3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol (PubChem CID 24928286) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
PubChem CID24928286
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
SMILESOc1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1O
InChIInChI=1S/C17H19N3O2/c21-15-3-1-2-12(16(15)22)9-20-7-6-14-13(10-20)8-18-17(19-14)11-4-5-11/h1-3,8,11,21-22H,4-7,9-10H2
InChIKeyDWKPJGCQVRIIKB-UHFFFAOYSA-N
XLogP2.32
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol with MolForge

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Related Compounds

2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928391
2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917677
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
CID 24929714
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
6-[(2-chloro-6-methylphenyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929273
2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911693
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916607
2-cyclopropyl-6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913373
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol (CID 24928286) is 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol is Oc1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1O.
What is the InChIKey of 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol?
The InChIKey is DWKPJGCQVRIIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15-3-1-2-12(16(15)22)9-20-7-6-14-13(10-20)8-18-17(19-14)11-4-5-11/h1-3,8,11,21-22H,4-7,9-10H2.
What are the key properties of 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol?
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol has a molecular weight of 297.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol is sourced from PubChem (CID 24928286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).