(3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide

C13H17N5O2 — CID 125219808

IUPAC(3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1
InChIInChI=1S/C13H17N5O2/c1-16(2)13(20)17-5-9-6-18(12(19)11(9)7-17)10-3-14-8-15-4-10/h3-4,8-9,11H,5-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyYOXOGWWYHIINNQ-MWLCHTKSSA-N
MW275.31 g/mol
LogP0.05
Rot. Bonds1

About (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide

(3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide (PubChem CID 125219808) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide
PubChem CID125219808
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1
InChIInChI=1S/C13H17N5O2/c1-16(2)13(20)17-5-9-6-18(12(19)11(9)7-17)10-3-14-8-15-4-10/h3-4,8-9,11H,5-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyYOXOGWWYHIINNQ-MWLCHTKSSA-N
XLogP0.05
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-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 (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide (CID 125219808) is (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide is CN(C)C(=O)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1.
What is the InChIKey of (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide?
The InChIKey is YOXOGWWYHIINNQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-16(2)13(20)17-5-9-6-18(12(19)11(9)7-17)10-3-14-8-15-4-10/h3-4,8-9,11H,5-7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide?
(3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N,N-dimethyl-4-oxo-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide is sourced from PubChem (CID 125219808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).