(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine

C19H22N4O — CID 56704570

IUPAC(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
SMILESC[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@H](C)O1
InChIInChI=1S/C19H22N4O/c1-14-10-22(11-15(2)24-14)12-16-8-20-19-18(9-21-23(19)13-16)17-6-4-3-5-7-17/h3-9,13-15H,10-12H2,1-2H3/t14-,15+
InChIKeyXTGAIUMILKIAAB-GASCZTMLSA-N
MW322.41 g/mol
LogP3.01
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine

(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine (PubChem CID 56704570) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
PubChem CID56704570
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
SMILESC[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@H](C)O1
InChIInChI=1S/C19H22N4O/c1-14-10-22(11-15(2)24-14)12-16-8-20-19-18(9-21-23(19)13-16)17-6-4-3-5-7-17/h3-9,13-15H,10-12H2,1-2H3/t14-,15+
InChIKeyXTGAIUMILKIAAB-GASCZTMLSA-N
XLogP3.01
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine with MolForge

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Related Compounds

1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-ol
CID 56701762
2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
CID 56704340
N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 56720907
(3S,4R)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155500849
1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
CID 70704734
(3S,4S)-4-methyl-9-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165421390
3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56913773
5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95231041
[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
CID 56702001
N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56711698
3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95218517
3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
CID 56715904

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine (CID 56704570) is (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine is C[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine?
The InChIKey is XTGAIUMILKIAAB-GASCZTMLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-10-22(11-15(2)24-14)12-16-8-20-19-18(9-21-23(19)13-16)17-6-4-3-5-7-17/h3-9,13-15H,10-12H2,1-2H3/t14-,15+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine is sourced from PubChem (CID 56704570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).