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

C9H13N3O — CID 83861735

IUPAC5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESNCCC1CCc2[nH]c(=O)ncc21
InChIInChI=1S/C9H13N3O/c10-4-3-6-1-2-8-7(6)5-11-9(13)12-8/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyWBTFPZNBBANTAG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.15
Rot. Bonds2

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

5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83861735) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83861735
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESNCCC1CCc2[nH]c(=O)ncc21
InChIInChI=1S/C9H13N3O/c10-4-3-6-1-2-8-7(6)5-11-9(13)12-8/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyWBTFPZNBBANTAG-UHFFFAOYSA-N
XLogP0.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861633
5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861720
2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-4-yl)ethanamine
CID 82417410
8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
CID 83890196
5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861998
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)ethanamine
CID 83872534
5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861742
2-(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-5-yl)ethanamine
CID 83862019
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861581
6-chloro-5-cyclopropyl-1H-pyrimidin-2-one
CID 117260838
(1S)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),5-dien-4-one
CID 89408127
2-(3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl)ethanamine
CID 83911428

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83861735) is 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is NCCC1CCc2[nH]c(=O)ncc21.
What is the InChIKey of 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is WBTFPZNBBANTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-3-6-1-2-8-7(6)5-11-9(13)12-8/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83861735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).