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

C9H13N3O — CID 83846395

IUPAC4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(N)c1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C9H13N3O/c1-5(10)8-6-3-2-4-7(6)11-9(13)12-8/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyVDWHMRVFGLIOTF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.28
Rot. Bonds1

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

4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83846395) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83846395
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(N)c1nc(=O)[nH]c2c1CCC2
InChIInChI=1S/C9H13N3O/c1-5(10)8-6-3-2-4-7(6)11-9(13)12-8/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyVDWHMRVFGLIOTF-UHFFFAOYSA-N
XLogP0.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83846395) is 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is CC(N)c1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is VDWHMRVFGLIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5(10)8-6-3-2-4-7(6)11-9(13)12-8/h5H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83846395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).