4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine

C13H19FN4O — CID 99714285

IUPAC4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESFc1cnc(N2CCC[C@H]2CN2CCOCC2)nc1
InChIInChI=1S/C13H19FN4O/c14-11-8-15-13(16-9-11)18-3-1-2-12(18)10-17-4-6-19-7-5-17/h8-9,12H,1-7,10H2/t12-/m0/s1
InChIKeyNMKDPAOEKKKSBK-LBPRGKRZSA-N
MW266.32 g/mol
LogP0.92
Rot. Bonds3

About 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine

4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 99714285) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID99714285
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESFc1cnc(N2CCC[C@H]2CN2CCOCC2)nc1
InChIInChI=1S/C13H19FN4O/c14-11-8-15-13(16-9-11)18-3-1-2-12(18)10-17-4-6-19-7-5-17/h8-9,12H,1-7,10H2/t12-/m0/s1
InChIKeyNMKDPAOEKKKSBK-LBPRGKRZSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
4-[5-Bromo-2-(1-pyrrolidinyl)-4-pyrimidinyl]morpholine
CID 889680
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
N-(3-methoxypropyl)-1-methyl-N-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-4-piperidinamine
CID 70769900
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510735
(4aR,7aS)-6-(cyclobutylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510736
(4aR,7aS)-6-(cyclopentylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510737
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
ethyl 2-[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]acetate
CID 97510739
2-[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N,N-dimethylacetamide
CID 97510740
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine (CID 99714285) is 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine is Fc1cnc(N2CCC[C@H]2CN2CCOCC2)nc1.
What is the InChIKey of 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is NMKDPAOEKKKSBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-11-8-15-13(16-9-11)18-3-1-2-12(18)10-17-4-6-19-7-5-17/h8-9,12H,1-7,10H2/t12-/m0/s1.
What are the key properties of 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 266.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 99714285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).