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

C17H22N4O — CID 135552939

IUPAC7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3C4CC5CC(C4)CC3C5)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C17H22N4O/c18-17-20-14-12(7-19-15(14)16(22)21-17)6-13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13,19H,1-6H2,(H3,18,20,21,22)
InChIKeyTUTCAVGXGSYOJT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.45
Rot. Bonds2

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

7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135552939) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135552939
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3C4CC5CC(C4)CC3C5)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C17H22N4O/c18-17-20-14-12(7-19-15(14)16(22)21-17)6-13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13,19H,1-6H2,(H3,18,20,21,22)
InChIKeyTUTCAVGXGSYOJT-UHFFFAOYSA-N
XLogP2.45
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135552939) is 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CC3C4CC5CC(C4)CC3C5)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is TUTCAVGXGSYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-17-20-14-12(7-19-15(14)16(22)21-17)6-13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13,19H,1-6H2,(H3,18,20,21,22).
What are the key properties of 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 298.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135552939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).