9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C19H16N2O3 — CID 7120017

IUPAC9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc2c1Oc1nc(-c3ccc(C)cc3)[nH]c(=O)c1C2
InChIInChI=1S/C19H16N2O3/c1-11-6-8-12(9-7-11)17-20-18(22)14-10-13-4-3-5-15(23-2)16(13)24-19(14)21-17/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyVUAJAGWUCKXDTA-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.45
Rot. Bonds2

About 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 7120017) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID7120017
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc2c1Oc1nc(-c3ccc(C)cc3)[nH]c(=O)c1C2
InChIInChI=1S/C19H16N2O3/c1-11-6-8-12(9-7-11)17-20-18(22)14-10-13-4-3-5-15(23-2)16(13)24-19(14)21-17/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyVUAJAGWUCKXDTA-UHFFFAOYSA-N
XLogP3.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-7-propan-2-yl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162659397
Cambridge id 5918944
CID 135438746
5-(3,4-Dimethoxy-phenyl)-6-phenyl-2-propyl-3H-pyrimidin-4-one
CID 135438750
3-(3,4-Dimethoxyphenyl)-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 76321073
2-(4-Fluorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 172441250
7-methyl-2-phenyl-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-4-one
CID 53338131
4-Hydroxy-2-phenyl[1]benzopyrano[2,3-d]pyrimidine
CID 3946486
9-Methoxy-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 7120016
9-Methoxy-2-(3-methoxyphenyl)-3H,4H,5H-chromeno[2,3-D]pyrimidin-4-one
CID 7120018
9-methoxy-2-(2-methoxyphenyl)-3H-chromeno[2,3-d]pyrimidin-4(5H)-one
CID 7120025
2-(3-Hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 7120026
2-(3-hydroxyphenyl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-4-one
CID 22515955

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 7120017) is 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is COc1cccc2c1Oc1nc(-c3ccc(C)cc3)[nH]c(=O)c1C2.
What is the InChIKey of 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is VUAJAGWUCKXDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-6-8-12(9-7-11)17-20-18(22)14-10-13-4-3-5-15(23-2)16(13)24-19(14)21-17/h3-9H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 320.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(4-methylphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7120017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).