2-benzylchromeno[4,3-d]pyrimidin-5-one

C18H12N2O2 — CID 86055767

IUPAC2-benzylchromeno[4,3-d]pyrimidin-5-one
SMILESO=c1oc2ccccc2c2nc(Cc3ccccc3)ncc12
InChIInChI=1S/C18H12N2O2/c21-18-14-11-19-16(10-12-6-2-1-3-7-12)20-17(14)13-8-4-5-9-15(13)22-18/h1-9,11H,10H2
InChIKeyINTHZSLXIKOZSV-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.33
Rot. Bonds2

About 2-benzylchromeno[4,3-d]pyrimidin-5-one

2-benzylchromeno[4,3-d]pyrimidin-5-one (PubChem CID 86055767) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-benzylchromeno[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzylchromeno[4,3-d]pyrimidin-5-one
PubChem CID86055767
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-benzylchromeno[4,3-d]pyrimidin-5-one
SMILESO=c1oc2ccccc2c2nc(Cc3ccccc3)ncc12
InChIInChI=1S/C18H12N2O2/c21-18-14-11-19-16(10-12-6-2-1-3-7-12)20-17(14)13-8-4-5-9-15(13)22-18/h1-9,11H,10H2
InChIKeyINTHZSLXIKOZSV-UHFFFAOYSA-N
XLogP3.33
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)methyl]chromeno[4,3-d]pyrimidin-5-one
CID 11462739
2-cyclopropylchromeno[4,3-d]pyrimidin-5-one
CID 154732245
2-benzyl-3H-chromeno[3,4-d]imidazol-4-one
CID 11208132
chromeno[3,4-b]pyrazin-5-one
CID 691239
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
3-acetyl-4-benzylchromen-2-one
CID 100994271
CID 172712410
CID 172712410
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428
3-chloro-4-phenylmethoxychromen-2-one
CID 15532422
1-benzylxanthen-9-one
CID 18759523
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
N-benzyl-[1]benzofuro[3,2-b]pyridine-2-carboxamide
CID 69090493

Frequently Asked Questions

What is the IUPAC name of 2-benzylchromeno[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-benzylchromeno[4,3-d]pyrimidin-5-one (CID 86055767) is 2-benzylchromeno[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-benzylchromeno[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-benzylchromeno[4,3-d]pyrimidin-5-one is O=c1oc2ccccc2c2nc(Cc3ccccc3)ncc12.
What is the InChIKey of 2-benzylchromeno[4,3-d]pyrimidin-5-one?
The InChIKey is INTHZSLXIKOZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18-14-11-19-16(10-12-6-2-1-3-7-12)20-17(14)13-8-4-5-9-15(13)22-18/h1-9,11H,10H2.
What are the key properties of 2-benzylchromeno[4,3-d]pyrimidin-5-one?
2-benzylchromeno[4,3-d]pyrimidin-5-one has a molecular weight of 288.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylchromeno[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 86055767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).