1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

C18H23N5O4 — CID 11955977

IUPAC1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCOc1ccc(OC[C@@H]2CNCCO2)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C18H23N5O4/c1-12-8-21-17(10-20-12)23-18(24)22-15-7-13(25-2)3-4-16(15)27-11-14-9-19-5-6-26-14/h3-4,7-8,10,14,19H,5-6,9,11H2,1-2H3,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyTWAIUVQHFOMSGJ-AWEZNQCLSA-N
MW373.41 g/mol
LogP1.80
Rot. Bonds6

About 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 11955977) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID11955977
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCOc1ccc(OC[C@@H]2CNCCO2)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C18H23N5O4/c1-12-8-21-17(10-20-12)23-18(24)22-15-7-13(25-2)3-4-16(15)27-11-14-9-19-5-6-26-14/h3-4,7-8,10,14,19H,5-6,9,11H2,1-2H3,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyTWAIUVQHFOMSGJ-AWEZNQCLSA-N
XLogP1.80
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
CID 143303789
1-[5-bromo-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956053
1-[5-chloro-4-methylsulfanyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11955457
N-[2-chloro-4-[(5-methylpyrazin-2-yl)carbamoylamino]-5-[[(2S)-morpholin-2-yl]methoxy]phenyl]-2-methylpropanamide
CID 11956094
1-[5-bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;1-[5-chloro-2-(thiomorpholin-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 69071396
1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956016
1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956017
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-(2,5-diethoxyphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119686964
[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea
CID 175102122
1-[5-bromo-4-methyl-N-[(5-methylpyrazin-2-yl)carbamoyl]-2-(morpholin-2-ylmethoxy)anilino]-1-[5-chloro-2-(thiomorpholin-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 69071397
(2S)-2-[[4-bromo-5-methyl-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]methyl]morpholine-4-carboxylic acid
CID 176978221

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 11955977) is 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is COc1ccc(OC[C@@H]2CNCCO2)c(NC(=O)Nc2cnc(C)cn2)c1.
What is the InChIKey of 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is TWAIUVQHFOMSGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12-8-21-17(10-20-12)23-18(24)22-15-7-13(25-2)3-4-16(15)27-11-14-9-19-5-6-26-14/h3-4,7-8,10,14,19H,5-6,9,11H2,1-2H3,(H2,21,22,23,24)/t14-/m0/s1.
What are the key properties of 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 373.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 11955977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).