4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C11H17N3O — CID 83858969

IUPAC4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(C)(N)Cc1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C11H17N3O/c1-11(2,12)6-9-7-4-3-5-8(7)13-10(15)14-9/h3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyVLRNYYGQLXDWQL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.54
Rot. Bonds2

About 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83858969) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83858969
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(C)(N)Cc1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C11H17N3O/c1-11(2,12)6-9-7-4-3-5-8(7)13-10(15)14-9/h3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyVLRNYYGQLXDWQL-UHFFFAOYSA-N
XLogP0.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83858969) is 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is CC(C)(N)Cc1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is VLRNYYGQLXDWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,12)6-9-7-4-3-5-8(7)13-10(15)14-9/h3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83858969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).