(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C14H20N4O2 — CID 97422246

IUPAC(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCC(C)NC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H20N4O2/c1-10(2)17-12(19)14-8-18(6-11(14)7-20-9-14)13-15-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3,(H,17,19)/t11-,14-/m1/s1
InChIKeyLDMNOVHHLAWLEF-BXUZGUMPSA-N
MW276.34 g/mol
LogP0.45
Rot. Bonds3

About (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97422246) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97422246
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCC(C)NC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H20N4O2/c1-10(2)17-12(19)14-8-18(6-11(14)7-20-9-14)13-15-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3,(H,17,19)/t11-,14-/m1/s1
InChIKeyLDMNOVHHLAWLEF-BXUZGUMPSA-N
XLogP0.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-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 (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97422246) is (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is CC(C)NC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is LDMNOVHHLAWLEF-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)17-12(19)14-8-18(6-11(14)7-20-9-14)13-15-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3,(H,17,19)/t11-,14-/m1/s1.
What are the key properties of (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97422246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).