6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

C21H24N6O3 — CID 127251771

IUPAC6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCOc1cccc(OC)c1CN1CCOC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C21H24N6O3/c1-28-17-5-3-6-18(29-2)15(17)13-27-9-10-30-19(14-27)16-11-22-12-20(25-16)26-21-23-7-4-8-24-21/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H,23,24,25,26)
InChIKeyBKEQNNQKZJECJW-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.60
Rot. Bonds7

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

6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 127251771) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID127251771
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCOc1cccc(OC)c1CN1CCOC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C21H24N6O3/c1-28-17-5-3-6-18(29-2)15(17)13-27-9-10-30-19(14-27)16-11-22-12-20(25-16)26-21-23-7-4-8-24-21/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H,23,24,25,26)
InChIKeyBKEQNNQKZJECJW-UHFFFAOYSA-N
XLogP2.60
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
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-chlorophenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251749
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
6-(4-propan-2-ylmorpholin-2-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110265559
N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 110094212
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
N-[6-[4-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249193
6-[4-[(2-methoxypyrimidin-5-yl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112420

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (CID 127251771) is 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is COc1cccc(OC)c1CN1CCOC(c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is BKEQNNQKZJECJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-28-17-5-3-6-18(29-2)15(17)13-27-9-10-30-19(14-27)16-11-22-12-20(25-16)26-21-23-7-4-8-24-21/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H,23,24,25,26).
What are the key properties of 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 408.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 127251771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).