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

C11H17N3O — CID 82105227

IUPAC3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CCCN)CCC2
InChIInChI=1S/C11H17N3O/c1-8-13-10-5-2-4-9(10)11(15)14(8)7-3-6-12/h2-7,12H2,1H3
InChIKeySGTICMIEUSAFSF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.39
Rot. Bonds3

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

3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82105227) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82105227
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CCCN)CCC2
InChIInChI=1S/C11H17N3O/c1-8-13-10-5-2-4-9(10)11(15)14(8)7-3-6-12/h2-7,12H2,1H3
InChIKeySGTICMIEUSAFSF-UHFFFAOYSA-N
XLogP0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
CID 523979
Pyrido-pyrimidinone analog (rings=565)
CID 523977
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
2-Amino-5-butyl-3-ethyl-6-methylpyrimidin-4(3H)-one
CID 13191402
5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
3-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)propanamide
CID 132306525
1,8-Diaza-tricyclo[7.6.0.0*3,7*]pentadeca-3(7),8-dien-2-one
CID 23274244
8,13-Dimethyl-1-aza-8-azoniatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13258455
1,8-Diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride
CID 23321506
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82105227) is 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)n1CCCN)CCC2.
What is the InChIKey of 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is SGTICMIEUSAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-13-10-5-2-4-9(10)11(15)14(8)7-3-6-12/h2-7,12H2,1H3.
What are the key properties of 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82105227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).