6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

C20H22N6O — CID 124948303

IUPAC6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCc1ccccc1CN1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C20H22N6O/c1-15-5-2-3-6-16(15)13-26-9-10-27-18(14-26)17-11-21-12-19(24-17)25-20-22-7-4-8-23-20/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,22,23,24,25)/t18-/m0/s1
InChIKeyCMACXJOLLPEZGG-SFHVURJKSA-N
MW362.44 g/mol
LogP2.89
Rot. Bonds5

About 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 124948303) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID124948303
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCc1ccccc1CN1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C20H22N6O/c1-15-5-2-3-6-16(15)13-26-9-10-27-18(14-26)17-11-21-12-19(24-17)25-20-22-7-4-8-23-20/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,22,23,24,25)/t18-/m0/s1
InChIKeyCMACXJOLLPEZGG-SFHVURJKSA-N
XLogP2.89
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251749
N-pyrimidin-2-yl-6-[(2R)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996475
N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996474
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251771
6-(4-propan-2-ylmorpholin-2-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110265559
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835954
5-ethyl-N-[6-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125016543
6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124996771
6-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 124980334
N-[[2-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124950073
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholine
CID 125016910

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (CID 124948303) is 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is Cc1ccccc1CN1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is CMACXJOLLPEZGG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-5-2-3-6-16(15)13-26-9-10-27-18(14-26)17-11-21-12-19(24-17)25-20-22-7-4-8-23-20/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,22,23,24,25)/t18-/m0/s1.
What are the key properties of 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 362.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 124948303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).