7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C20H17N3O2 — CID 135499983

IUPAC7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C20H17N3O2/c24-20-19-18(22-13-23-20)16(11-21-19)9-15-7-4-8-17(10-15)25-12-14-5-2-1-3-6-14/h1-8,10-11,13,21H,9,12H2,(H,22,23,24)
InChIKeyKPGUOANHRAPLEA-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.42
Rot. Bonds5

About 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135499983) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135499983
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C20H17N3O2/c24-20-19-18(22-13-23-20)16(11-21-19)9-15-7-4-8-17(10-15)25-12-14-5-2-1-3-6-14/h1-8,10-11,13,21H,9,12H2,(H,22,23,24)
InChIKeyKPGUOANHRAPLEA-UHFFFAOYSA-N
XLogP3.42
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155520495
3-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-one
CID 2031970
2-Amino-7-(3-methoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135453917
2-Amino-7-furan-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457912
2-amino-7-(4-(benzyloxy)benzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135464196
2-Amino-7-(3-benzyloxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135492524
2-Amino-7-(3-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135511829
2-Amino-7-(3-phenoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055840
3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155510571
2-[[(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-yl]amino]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155523656
5-Methyl-7-(2-phenoxyphenyl)-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 136387556

Frequently Asked Questions

What is the IUPAC name of 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135499983) is 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12.
What is the InChIKey of 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is KPGUOANHRAPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-19-18(22-13-23-20)16(11-21-19)9-15-7-4-8-17(10-15)25-12-14-5-2-1-3-6-14/h1-8,10-11,13,21H,9,12H2,(H,22,23,24).
What are the key properties of 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135499983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).