4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine

C17H24N6O — CID 125192278

IUPAC4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine
SMILESCn1cc(C[C@@H]2[C@@H](N3CCOCC3)CCN2c2ncccn2)cn1
InChIInChI=1S/C17H24N6O/c1-21-13-14(12-20-21)11-16-15(22-7-9-24-10-8-22)3-6-23(16)17-18-4-2-5-19-17/h2,4-5,12-13,15-16H,3,6-11H2,1H3/t15-,16+/m0/s1
InChIKeyJMEGUAZHQQWHIL-JKSUJKDBSA-N
MW328.42 g/mol
LogP0.73
Rot. Bonds4

About 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine

4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine (PubChem CID 125192278) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine
PubChem CID125192278
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine
SMILESCn1cc(C[C@@H]2[C@@H](N3CCOCC3)CCN2c2ncccn2)cn1
InChIInChI=1S/C17H24N6O/c1-21-13-14(12-20-21)11-16-15(22-7-9-24-10-8-22)3-6-23(16)17-18-4-2-5-19-17/h2,4-5,12-13,15-16H,3,6-11H2,1H3/t15-,16+/m0/s1
InChIKeyJMEGUAZHQQWHIL-JKSUJKDBSA-N
XLogP0.73
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine
CID 124817489
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]morpholine
CID 97470933
furan-2-yl-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125215138
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97471026
5-fluoro-2-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 124815893
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidin-3-yl]piperazine
CID 97392121
(2S,3R)-3-(4-methylpiperazin-1-yl)-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 97392122
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 97470960
10-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660491
(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 72905929

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine (CID 125192278) is 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine is Cn1cc(C[C@@H]2[C@@H](N3CCOCC3)CCN2c2ncccn2)cn1.
What is the InChIKey of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine?
The InChIKey is JMEGUAZHQQWHIL-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-13-14(12-20-21)11-16-15(22-7-9-24-10-8-22)3-6-23(16)17-18-4-2-5-19-17/h2,4-5,12-13,15-16H,3,6-11H2,1H3/t15-,16+/m0/s1.
What are the key properties of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine?
4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine has a molecular weight of 328.42 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 125192278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).