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

C9H13N3O — CID 83858946

IUPAC4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESC[C@H](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)/t5-/m0/s1
InChIKeyVDWHMRVFGLIOTF-YFKPBYRVSA-N
MW179.22 g/mol
LogP0.28
Rot. Bonds1

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

4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83858946) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83858946
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESC[C@H](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)/t5-/m0/s1
InChIKeyVDWHMRVFGLIOTF-YFKPBYRVSA-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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Related Compounds

4-(1-aminopropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83858997
4-[(1S)-1-aminoethyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 83859004
3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
CID 83858971
3-methyl-2-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
CID 83858962
4-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83846400
(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-carbonitrile
CID 39235676
4-(2-amino-2-methylpropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83858969
4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83847337
4-(aziridin-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 163611236
4-(cyclopropylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83863252
4-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
CID 83846404

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83858946) is 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is C[C@H](N)c1nc(=O)[nH]c2c1CCC2.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is VDWHMRVFGLIOTF-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-[(1S)-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-[(1S)-1-aminoethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83858946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).