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

C17H19N5O — CID 96528652

IUPAC(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1c1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C17H19N5O/c1-11-17(23)19-9-10-22(11)16-12-5-4-7-13(12)20-15(21-16)14-6-2-3-8-18-14/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyXODUUXBFXULLHD-LLVKDONJSA-N
MW309.37 g/mol
LogP1.35
Rot. Bonds2

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

(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 96528652) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
PubChem CID96528652
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1c1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C17H19N5O/c1-11-17(23)19-9-10-22(11)16-12-5-4-7-13(12)20-15(21-16)14-6-2-3-8-18-14/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyXODUUXBFXULLHD-LLVKDONJSA-N
XLogP1.35
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one (CID 96528652) is (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one is C[C@@H]1C(=O)NCCN1c1nc(-c2ccccn2)nc2c1CCC2.
What is the InChIKey of (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is XODUUXBFXULLHD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-17(23)19-9-10-22(11)16-12-5-4-7-13(12)20-15(21-16)14-6-2-3-8-18-14/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H,19,23)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 96528652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).