(2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide

C16H23N5O2 — CID 95728284

IUPAC(2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2nc(C3CCCC3)nc3c2CNC3)CCO1
InChIInChI=1S/C16H23N5O2/c17-14(22)13-9-21(5-6-23-13)16-11-7-18-8-12(11)19-15(20-16)10-3-1-2-4-10/h10,13,18H,1-9H2,(H2,17,22)/t13-/m0/s1
InChIKeyRRROWQDDEJDZMV-ZDUSSCGKSA-N
MW317.39 g/mol
LogP0.43
Rot. Bonds3

About (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide

(2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide (PubChem CID 95728284) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide
PubChem CID95728284
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2nc(C3CCCC3)nc3c2CNC3)CCO1
InChIInChI=1S/C16H23N5O2/c17-14(22)13-9-21(5-6-23-13)16-11-7-18-8-12(11)19-15(20-16)10-3-1-2-4-10/h10,13,18H,1-9H2,(H2,17,22)/t13-/m0/s1
InChIKeyRRROWQDDEJDZMV-ZDUSSCGKSA-N
XLogP0.43
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide (CID 95728284) is (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide is NC(=O)[C@@H]1CN(c2nc(C3CCCC3)nc3c2CNC3)CCO1.
What is the InChIKey of (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The InChIKey is RRROWQDDEJDZMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-14(22)13-9-21(5-6-23-13)16-11-7-18-8-12(11)19-15(20-16)10-3-1-2-4-10/h10,13,18H,1-9H2,(H2,17,22)/t13-/m0/s1.
What are the key properties of (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide?
(2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95728284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).