4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine

C18H29N5O2 — CID 128989348

IUPAC4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H29N5O2/c1-24-16-12-15(13-21-6-2-3-7-21)23(14-16)17-4-5-19-18(20-17)22-8-10-25-11-9-22/h4-5,15-16H,2-3,6-14H2,1H3/t15-,16-/m0/s1
InChIKeyPIHWACQFQWYEJD-HOTGVXAUSA-N
MW347.46 g/mol
LogP1.00
Rot. Bonds5

About 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 128989348) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID128989348
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H29N5O2/c1-24-16-12-15(13-21-6-2-3-7-21)23(14-16)17-4-5-19-18(20-17)22-8-10-25-11-9-22/h4-5,15-16H,2-3,6-14H2,1H3/t15-,16-/m0/s1
InChIKeyPIHWACQFQWYEJD-HOTGVXAUSA-N
XLogP1.00
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

US11091488, Example 51
CID 129195635
2-Tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 71845929
2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 75423984
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
(4aR,7aS)-6-(oxan-4-ylmethyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377537
(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97409918
4-[(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510746
4-[(4aR,7aS)-6-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510758
4-[(4aR,7aS)-6-(oxan-4-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510759
(((2S,4S)-1-(6-fluoropyrimidin-4-yl)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 132343716
[(2S,4S)-4-methoxy-1-(pyrimidin-4-yl)pyrrolidin-2-yl]methanamine dihydrochloride
CID 139023976
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 145874812

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine (CID 128989348) is 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine is CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is PIHWACQFQWYEJD-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-24-16-12-15(13-21-6-2-3-7-21)23(14-16)17-4-5-19-18(20-17)22-8-10-25-11-9-22/h4-5,15-16H,2-3,6-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 347.46 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 128989348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).