cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

C14H18N4O2 — CID 86264538

IUPACcyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESO=C(C1CC1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H18N4O2/c19-13(10-1-2-10)18-8-11-7-15-14(16-12(11)9-18)17-3-5-20-6-4-17/h7,10H,1-6,8-9H2
InChIKeyDBIVCXJBQTVQNA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.57
Rot. Bonds2

About cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 86264538) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID86264538
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namecyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESO=C(C1CC1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H18N4O2/c19-13(10-1-2-10)18-8-11-7-15-14(16-12(11)9-18)17-3-5-20-6-4-17/h7,10H,1-6,8-9H2
InChIKeyDBIVCXJBQTVQNA-UHFFFAOYSA-N
XLogP0.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-morpholinyl)-, monohydrochloride
CID 3078646
2-tert-butyl-6-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739967
2-ethyl-6-(methoxyacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750850
2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825
2-ethoxy-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 86264542
1-methyl-3-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2(1H)-one
CID 86264561
2-methyl-6-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3(2H)-one
CID 86264596
2-(cyclopentylthio)-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 86264613
2-(2-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 86264622
N,N-dimethyl-2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-sulfonamide
CID 86264645
tert-butyl 2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 119106458

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 86264538) is cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is O=C(C1CC1)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is DBIVCXJBQTVQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13(10-1-2-10)18-8-11-7-15-14(16-12(11)9-18)17-3-5-20-6-4-17/h7,10H,1-6,8-9H2.
What are the key properties of cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 86264538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).