2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C7H9N3O — CID 135431317

IUPAC2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C7H9N3O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKeyWJXRMEZIFWONFJ-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.16
Rot. Bonds

About 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135431317) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135431317
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C7H9N3O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKeyWJXRMEZIFWONFJ-UHFFFAOYSA-N
XLogP-0.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135431317) is 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is WJXRMEZIFWONFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11).
What are the key properties of 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 151.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135431317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).