N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide

C15H22N4O2 — CID 97476893

IUPACN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C15H22N4O2/c1-11(2)13(20)18-8-15-9-19(6-12(15)7-21-10-15)14-16-4-3-5-17-14/h3-5,11-12H,6-10H2,1-2H3,(H,18,20)/t12-,15+/m1/s1
InChIKeyYWAWTVCITRWADF-DOMZBBRYSA-N
MW290.37 g/mol
LogP0.70
Rot. Bonds4

About N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide

N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide (PubChem CID 97476893) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
PubChem CID97476893
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C15H22N4O2/c1-11(2)13(20)18-8-15-9-19(6-12(15)7-21-10-15)14-16-4-3-5-17-14/h3-5,11-12H,6-10H2,1-2H3,(H,18,20)/t12-,15+/m1/s1
InChIKeyYWAWTVCITRWADF-DOMZBBRYSA-N
XLogP0.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide 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 N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide (CID 97476893) is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@]12COC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
The InChIKey is YWAWTVCITRWADF-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)13(20)18-8-15-9-19(6-12(15)7-21-10-15)14-16-4-3-5-17-14/h3-5,11-12H,6-10H2,1-2H3,(H,18,20)/t12-,15+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide?
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide has a molecular weight of 290.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 97476893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).