2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one

C24H27N3O — CID 158708713

IUPAC2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCC1=Cc2c(nc(NC34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1c1ccccc1
InChIInChI=1S/C24H27N3O/c1-14-7-19-21(20(14)18-5-3-2-4-6-18)25-23(26-22(19)28)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-7,15-17,20H,8-13H2,1H3,(H2,25,26,27,28)
InChIKeyNHUPJNJPHMSXEQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.70
Rot. Bonds3

About 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one

2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one (PubChem CID 158708713) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one
PubChem CID158708713
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCC1=Cc2c(nc(NC34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1c1ccccc1
InChIInChI=1S/C24H27N3O/c1-14-7-19-21(20(14)18-5-3-2-4-6-18)25-23(26-22(19)28)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-7,15-17,20H,8-13H2,1H3,(H2,25,26,27,28)
InChIKeyNHUPJNJPHMSXEQ-UHFFFAOYSA-N
XLogP4.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one (CID 158708713) is 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one is CC1=Cc2c(nc(NC34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1c1ccccc1.
What is the InChIKey of 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is NHUPJNJPHMSXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-14-7-19-21(20(14)18-5-3-2-4-6-18)25-23(26-22(19)28)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-7,15-17,20H,8-13H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 373.50 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-6-methyl-7-phenyl-3,7-dihydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 158708713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).