(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

C18H26N6O — CID 95847566

IUPAC(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESCc1nc([C@H]2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1
InChIInChI=1S/C18H26N6O/c1-14-20-16(9-18(21-14)24-5-3-4-6-24)17-13-23(7-8-25-17)12-15-10-19-22(2)11-15/h9-11,17H,3-8,12-13H2,1-2H3/t17-/m1/s1
InChIKeyCKWQDKVGQSSJJL-QGZVFWFLSA-N
MW342.45 g/mol
LogP1.69
Rot. Bonds4

About (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 95847566) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID95847566
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESCc1nc([C@H]2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1
InChIInChI=1S/C18H26N6O/c1-14-20-16(9-18(21-14)24-5-3-4-6-24)17-13-23(7-8-25-17)12-15-10-19-22(2)11-15/h9-11,17H,3-8,12-13H2,1-2H3/t17-/m1/s1
InChIKeyCKWQDKVGQSSJJL-QGZVFWFLSA-N
XLogP1.69
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine with MolForge

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Related Compounds

4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 110271855
N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847567
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 124953952
2-(2,6-dimethylpyrimidin-4-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 110115987
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124941763
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (CID 95847566) is (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is Cc1nc([C@H]2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1.
What is the InChIKey of (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is CKWQDKVGQSSJJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-20-16(9-18(21-14)24-5-3-4-6-24)17-13-23(7-8-25-17)12-15-10-19-22(2)11-15/h9-11,17H,3-8,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 342.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 95847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).