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

C20H18N4O2 — CID 135492524

IUPAC2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C20H18N4O2/c21-20-23-17-15(11-22-18(17)19(25)24-20)9-14-7-4-8-16(10-14)26-12-13-5-2-1-3-6-13/h1-8,10-11,22H,9,12H2,(H3,21,23,24,25)
InChIKeyVHZPIMFKLUZYKJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.00
Rot. Bonds5

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

2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135492524) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135492524
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C20H18N4O2/c21-20-23-17-15(11-22-18(17)19(25)24-20)9-14-7-4-8-16(10-14)26-12-13-5-2-1-3-6-13/h1-8,10-11,22H,9,12H2,(H3,21,23,24,25)
InChIKeyVHZPIMFKLUZYKJ-UHFFFAOYSA-N
XLogP3.00
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Brd-IN-3
CID 138105961
3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155520495
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-(2-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457936
2-amino-7-(4-(benzyloxy)benzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135464196
7-(3-Benzyloxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135499983
2-Amino-7-(3-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135511829
2-Amino-7-(4-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135526984
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
3-methyl-2-[[(3R,5R)-1-methyl-5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 155513683

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135492524) is 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is VHZPIMFKLUZYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-20-23-17-15(11-22-18(17)19(25)24-20)9-14-7-4-8-16(10-14)26-12-13-5-2-1-3-6-13/h1-8,10-11,22H,9,12H2,(H3,21,23,24,25).
What are the key properties of 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(3-phenylmethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).