2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C12H17N3O — CID 82105275

IUPAC2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C1CCNC1)CCC2
InChIInChI=1S/C12H17N3O/c1-8-14-11-4-2-3-10(11)12(16)15(8)9-5-6-13-7-9/h9,13H,2-7H2,1H3
InChIKeyQUTDPPVEFKPYFX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.57
Rot. Bonds1

About 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82105275) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82105275
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C1CCNC1)CCC2
InChIInChI=1S/C12H17N3O/c1-8-14-11-4-2-3-10(11)12(16)15(8)9-5-6-13-7-9/h9,13H,2-7H2,1H3
InChIKeyQUTDPPVEFKPYFX-UHFFFAOYSA-N
XLogP0.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82105275) is 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C1CCNC1)CCC2.
What is the InChIKey of 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is QUTDPPVEFKPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-14-11-4-2-3-10(11)12(16)15(8)9-5-6-13-7-9/h9,13H,2-7H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82105275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).