morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone

C14H20N6O2 — CID 134075987

IUPACmorpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone
SMILESO=C(C1NNC2CN(c3ncccn3)CC21)N1CCOCC1
InChIInChI=1S/C14H20N6O2/c21-13(19-4-6-22-7-5-19)12-10-8-20(9-11(10)17-18-12)14-15-2-1-3-16-14/h1-3,10-12,17-18H,4-9H2
InChIKeyLOMIJOVDQDUJRN-UHFFFAOYSA-N
MW304.35 g/mol
LogP-1.38
Rot. Bonds2

About morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone

morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone (PubChem CID 134075987) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone
PubChem CID134075987
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Namemorpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone
SMILESO=C(C1NNC2CN(c3ncccn3)CC21)N1CCOCC1
InChIInChI=1S/C14H20N6O2/c21-13(19-4-6-22-7-5-19)12-10-8-20(9-11(10)17-18-12)14-15-2-1-3-16-14/h1-3,10-12,17-18H,4-9H2
InChIKeyLOMIJOVDQDUJRN-UHFFFAOYSA-N
XLogP-1.38
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone with MolForge

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Related Compounds

[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
[(3aS,6aS)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 97377128
[(3aR,7S,7aR)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(4-fluoropiperidin-1-yl)methanone
CID 97362648
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 110696756
(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 72905929
1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 72908755
[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone
CID 97483859
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide
CID 133127945
morpholin-4-yl-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97449674
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352856

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone (CID 134075987) is morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone is O=C(C1NNC2CN(c3ncccn3)CC21)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone?
The InChIKey is LOMIJOVDQDUJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c21-13(19-4-6-22-7-5-19)12-10-8-20(9-11(10)17-18-12)14-15-2-1-3-16-14/h1-3,10-12,17-18H,4-9H2.
What are the key properties of morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone?
morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 134075987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).