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

C12H18N4O — CID 102549320

IUPAC2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCn1c(N2CCC(N)C2)nc2c(c1=O)CCC2
InChIInChI=1S/C12H18N4O/c1-15-11(17)9-3-2-4-10(9)14-12(15)16-6-5-8(13)7-16/h8H,2-7,13H2,1H3
InChIKeyKCJHOXWLMBLMFF-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.19
Rot. Bonds1

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

2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 102549320) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID102549320
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCn1c(N2CCC(N)C2)nc2c(c1=O)CCC2
InChIInChI=1S/C12H18N4O/c1-15-11(17)9-3-2-4-10(9)14-12(15)16-6-5-8(13)7-16/h8H,2-7,13H2,1H3
InChIKeyKCJHOXWLMBLMFF-UHFFFAOYSA-N
XLogP-0.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 102549320) is 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cn1c(N2CCC(N)C2)nc2c(c1=O)CCC2.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is KCJHOXWLMBLMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-11(17)9-3-2-4-10(9)14-12(15)16-6-5-8(13)7-16/h8H,2-7,13H2,1H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 102549320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).