3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C11H17N3O — CID 82168032

IUPAC3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(C)CN)CCC2
InChIInChI=1S/C11H17N3O/c1-7(6-12)14-8(2)13-10-5-3-4-9(10)11(14)15/h7H,3-6,12H2,1-2H3
InChIKeyNCXIIRYHHGRQSA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.56
Rot. Bonds2

About 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82168032) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82168032
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(C)CN)CCC2
InChIInChI=1S/C11H17N3O/c1-7(6-12)14-8(2)13-10-5-3-4-9(10)11(14)15/h7H,3-6,12H2,1-2H3
InChIKeyNCXIIRYHHGRQSA-UHFFFAOYSA-N
XLogP0.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
CID 523979
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
2-(2-Aminobutan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103425
8,13-Dimethyl-1-aza-8-azoniatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13258455
2-Methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 135633080
2-Butyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136062402
2-(Aminomethyl)-6,7-dihydro-5H-cyclopenta[D]pyrimidin-4-OL
CID 136103112
5-Butyl-2,3-diethyl-6-methylpyrimidin-4-one
CID 144396284
4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one
CID 144503914
Ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 144917815
Ethane;2-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 144917830
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7747984

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82168032) is 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(C)CN)CCC2.
What is the InChIKey of 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is NCXIIRYHHGRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(6-12)14-8(2)13-10-5-3-4-9(10)11(14)15/h7H,3-6,12H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82168032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).