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

C21H24N6O2 — CID 127251780

IUPAC6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCOc1cc(C)ccc1CN1CCOC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C21H24N6O2/c1-15-4-5-16(18(10-15)28-2)13-27-8-9-29-19(14-27)17-11-22-12-20(25-17)26-21-23-6-3-7-24-21/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,23,24,25,26)
InChIKeyKCPMPMKHOZZTAM-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.90
Rot. Bonds6

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

6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 127251780) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID127251780
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCOc1cc(C)ccc1CN1CCOC(c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C21H24N6O2/c1-15-4-5-16(18(10-15)28-2)13-27-8-9-29-19(14-27)17-11-22-12-20(25-17)26-21-23-6-3-7-24-21/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,23,24,25,26)
InChIKeyKCPMPMKHOZZTAM-UHFFFAOYSA-N
XLogP2.90
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251771
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
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
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110093978
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
N-[6-[4-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249193
4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125025576
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (CID 127251780) is 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is COc1cc(C)ccc1CN1CCOC(c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is KCPMPMKHOZZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-4-5-16(18(10-15)28-2)13-27-8-9-29-19(14-27)17-11-22-12-20(25-17)26-21-23-6-3-7-24-21/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,23,24,25,26).
What are the key properties of 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 392.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 127251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).