4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

C23H26N6O3 — CID 127251203

IUPAC4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
SMILESCOCCc1ncc(CN2CCOC(c3nccnc3-c3ccc(C(N)=O)cc3)C2)cn1
InChIInChI=1S/C23H26N6O3/c1-31-10-6-20-27-12-16(13-28-20)14-29-9-11-32-19(15-29)22-21(25-7-8-26-22)17-2-4-18(5-3-17)23(24)30/h2-5,7-8,12-13,19H,6,9-11,14-15H2,1H3,(H2,24,30)
InChIKeyMWRJMWROZIPRTE-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.79
Rot. Bonds8

About 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide (PubChem CID 127251203) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
PubChem CID127251203
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
SMILESCOCCc1ncc(CN2CCOC(c3nccnc3-c3ccc(C(N)=O)cc3)C2)cn1
InChIInChI=1S/C23H26N6O3/c1-31-10-6-20-27-12-16(13-28-20)14-29-9-11-32-19(15-29)22-21(25-7-8-26-22)17-2-4-18(5-3-17)23(24)30/h2-5,7-8,12-13,19H,6,9-11,14-15H2,1H3,(H2,24,30)
InChIKeyMWRJMWROZIPRTE-UHFFFAOYSA-N
XLogP1.79
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-aminophenyl)-4-((4-(6-(2-(methoxymethoxy)propan-2-yl)pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570854
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]phenyl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 58072574
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 58072925
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 58073077
Methyl 4-benzyl-6-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137657393
Benzenecarboximidoyl 3-amino-6-[4-[4-(3,3-dimethylbutanoyl)-1,4-diazepane-1-carbonyl]phenyl]pyrazine-2-carboximidate
CID 59471724
Benzenecarboximidoyl 3-amino-6-[4-[4-(3,3-dimethylbutyl)-1,4-diazepane-1-carbonyl]phenyl]pyrazine-2-carboximidate
CID 59471807
methyl 4-[4-[5-amino-6-[C-(benzenecarboximidoyloxy)carbonimidoyl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate
CID 59472410
US9758524, Example 120
CID 71607548
(2-(2-Aminopyrimidin-5-yl)-6-morpholinopyridin-4-yl)(phenyl)methanone
CID 146173102
3-(4-Benzoyl-phenyl)-propionic acid 2,4-diamino-pteridin-6-ylmethyl ester
CID 10526539
3-[2-(Dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide
CID 66509789

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide (CID 127251203) is 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide is COCCc1ncc(CN2CCOC(c3nccnc3-c3ccc(C(N)=O)cc3)C2)cn1.
What is the InChIKey of 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
The InChIKey is MWRJMWROZIPRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-31-10-6-20-27-12-16(13-28-20)14-29-9-11-32-19(15-29)22-21(25-7-8-26-22)17-2-4-18(5-3-17)23(24)30/h2-5,7-8,12-13,19H,6,9-11,14-15H2,1H3,(H2,24,30).
What are the key properties of 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 127251203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).