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

C16H21F3N4O4 — CID 155824521

IUPAC(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-10(2)17-12(19)14-8-18(6-11(14)7-20-9-14)13-15-4-3-5-16-13;3-2(4,5)1(6)7/h3-5,10-11H,6-9H2,1-2H3,(H,17,19);(H,6,7)/t11-,14-;/m1./s1
InChIKeyZHCVTEJUQZWBNG-GBWFEORMSA-N
MW390.36 g/mol
LogP1.09
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;2,2,2-trifluoroacetic acid

(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155824521) has the molecular formula C16H21F3N4O4 and a molecular weight of 390.36 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid
PubChem CID155824521
Molecular FormulaC16H21F3N4O4
Molecular Weight390.36 g/mol
Exact Mass390.15
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;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-10(2)17-12(19)14-8-18(6-11(14)7-20-9-14)13-15-4-3-5-16-13;3-2(4,5)1(6)7/h3-5,10-11H,6-9H2,1-2H3,(H,17,19);(H,6,7)/t11-,14-;/m1./s1
InChIKeyZHCVTEJUQZWBNG-GBWFEORMSA-N
XLogP1.09
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(Methoxymethyl)-1-(pyrimidin-2-YL)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124052054
(3aS*,6aS*)-2-[(dimethylamino)carbonyl]-5-[4-(ethylamino)-2-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
CID 72913079
(3S,4S)-4-(methoxymethyl)-1-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124052087
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 127023427
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 127023432
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 127023433
(3aR,6aR)-N-(3,3-difluorocyclobutyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422368
1-[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155824430
(3R,3aS,6aS)-N-(1-methylpiperidin-4-yl)-5-pyrimidin-4-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831506
Oxan-4-yl-(2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155831826
2-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155833883
(3aR,6aR)-N-(3,3-difluorocyclobutyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155845655

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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid (CID 155824521) is (3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid.
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid is CC(C)NC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2.O=C(O)C(F)(F)F.
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;2,2,2-trifluoroacetic acid?
The InChIKey is ZHCVTEJUQZWBNG-GBWFEORMSA-N. The full InChI is InChI=1S/C14H20N4O2.C2HF3O2/c1-10(2)17-12(19)14-8-18(6-11(14)7-20-9-14)13-15-4-3-5-16-13;3-2(4,5)1(6)7/h3-5,10-11H,6-9H2,1-2H3,(H,17,19);(H,6,7)/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;2,2,2-trifluoroacetic acid?
(3aR,6aR)-N-propan-2-yl-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 390.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).