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

C12H19N3O — CID 82168033

IUPAC3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC(C)(C)N)CCC2
InChIInChI=1S/C12H19N3O/c1-8-14-10-6-4-5-9(10)11(16)15(8)7-12(2,3)13/h4-7,13H2,1-3H3
InChIKeyYKIZAUKOJFQBHZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.78
Rot. Bonds2

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

3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82168033) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82168033
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC(C)(C)N)CCC2
InChIInChI=1S/C12H19N3O/c1-8-14-10-6-4-5-9(10)11(16)15(8)7-12(2,3)13/h4-7,13H2,1-3H3
InChIKeyYKIZAUKOJFQBHZ-UHFFFAOYSA-N
XLogP0.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.78
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
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
2-(2-Aminopropan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103424
2-(2-Aminobutan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136103425
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
2-Ethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136209791

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82168033) is 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)n1CC(C)(C)N)CCC2.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is YKIZAUKOJFQBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-14-10-6-4-5-9(10)11(16)15(8)7-12(2,3)13/h4-7,13H2,1-3H3.
What are the key properties of 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82168033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).