(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol

C12H18N4O2 — CID 72905929

IUPAC(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(c2ncccn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C12H18N4O2/c17-11-9-16(12-13-2-1-3-14-12)8-10(11)15-4-6-18-7-5-15/h1-3,10-11,17H,4-9H2/t10-,11-/m0/s1
InChIKeyVGNPTGOJOYMODF-QWRGUYRKSA-N
MW250.30 g/mol
LogP-0.64
Rot. Bonds2

About (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol

(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol (PubChem CID 72905929) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
PubChem CID72905929
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(c2ncccn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C12H18N4O2/c17-11-9-16(12-13-2-1-3-14-12)8-10(11)15-4-6-18-7-5-15/h1-3,10-11,17H,4-9H2/t10-,11-/m0/s1
InChIKeyVGNPTGOJOYMODF-QWRGUYRKSA-N
XLogP-0.64
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 66968326
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-(4-pyridin-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
CID 74240047
(3R,4S)-3-morpholin-4-yl-1-(1H-pyrazol-5-yl)piperidin-4-ol
CID 126655626
2-[4-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 26392023
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
(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 110108224
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 131903256
6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
CID 56861281
[(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
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
CID 67536684

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol (CID 72905929) is (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol is O[C@H]1CN(c2ncccn2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol?
The InChIKey is VGNPTGOJOYMODF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11-9-16(12-13-2-1-3-14-12)8-10(11)15-4-6-18-7-5-15/h1-3,10-11,17H,4-9H2/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol?
(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol has a molecular weight of 250.30 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 72905929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).