5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

C14H18N4O2 — CID 70785517

IUPAC5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C14H18N4O2/c19-13-10(6-16-12(17-13)8-1-2-8)14(20)18-4-3-9-5-15-7-11(9)18/h6,8-9,11,15H,1-5,7H2,(H,16,17,19)/t9-,11+/m0/s1
InChIKeyBEOWOEZLJHZABU-GXSJLCMTSA-N
MW274.32 g/mol
LogP0.08
Rot. Bonds2

About 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 70785517) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID70785517
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C14H18N4O2/c19-13-10(6-16-12(17-13)8-1-2-8)14(20)18-4-3-9-5-15-7-11(9)18/h6,8-9,11,15H,1-5,7H2,(H,16,17,19)/t9-,11+/m0/s1
InChIKeyBEOWOEZLJHZABU-GXSJLCMTSA-N
XLogP0.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-{[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]carbonyl}-2-cyclopropyl-4(3H)-pyrimidinone
CID 72863330
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
2-methyl-6-oxo-N-[2-(tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7a(5H)-yl)ethyl]-1,6-dihydropyrimidine-5-carboxamide
CID 91776864
(2S,6S)-4-(cyclopropanecarbonyl)-11-oxo-N-propan-2-yl-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide
CID 124232442
(7S)-N,1'-bis(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124236037
(7R)-N,1'-bis(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124236038
(7S)-N-cyclohexyl-1'-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124237013
(7R)-N-cyclohexyl-1'-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124237014
(7R)-N-(cyclopropylmethyl)-2-oxo-1'-propan-2-ylspiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124237708
(7S)-N-(cyclopropylmethyl)-2-oxo-1'-propan-2-ylspiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124237709
(7R)-1'-acetyl-N-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124237856
(7S)-1'-acetyl-N-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 124237857

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 70785517) is 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is BEOWOEZLJHZABU-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13-10(6-16-12(17-13)8-1-2-8)14(20)18-4-3-9-5-15-7-11(9)18/h6,8-9,11,15H,1-5,7H2,(H,16,17,19)/t9-,11+/m0/s1.
What are the key properties of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one?
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 70785517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).