2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H24N4O — CID 135861897

IUPAC2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1(C)C2CC=C(CN3CCc4nc(N)[nH]c(=O)c4C3)C1C2
InChIInChI=1S/C17H24N4O/c1-17(2)11-4-3-10(13(17)7-11)8-21-6-5-14-12(9-21)15(22)20-16(18)19-14/h3,11,13H,4-9H2,1-2H3,(H3,18,19,20,22)
InChIKeyKSTIQZMCAJQGDR-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861897) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861897
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1(C)C2CC=C(CN3CCc4nc(N)[nH]c(=O)c4C3)C1C2
InChIInChI=1S/C17H24N4O/c1-17(2)11-4-3-10(13(17)7-11)8-21-6-5-14-12(9-21)15(22)20-16(18)19-14/h3,11,13H,4-9H2,1-2H3,(H3,18,19,20,22)
InChIKeyKSTIQZMCAJQGDR-UHFFFAOYSA-N
XLogP1.70
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861897) is 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1(C)C2CC=C(CN3CCc4nc(N)[nH]c(=O)c4C3)C1C2.
What is the InChIKey of 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KSTIQZMCAJQGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2)11-4-3-10(13(17)7-11)8-21-6-5-14-12(9-21)15(22)20-16(18)19-14/h3,11,13H,4-9H2,1-2H3,(H3,18,19,20,22).
What are the key properties of 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).