1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea

C24H29N5O2 — CID 11441530

IUPAC1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea
SMILESCCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-4-9-19(17-10-7-6-8-11-17)27-23-16-25-15-21(28-23)18-12-13-20(22(14-18)31-3)29-24(30)26-5-2/h6-8,10-16,19H,4-5,9H2,1-3H3,(H,27,28)(H2,26,29,30)/t19-/m0/s1
InChIKeyBYWUCYODFIBJCO-IBGZPJMESA-N
MW419.53 g/mol
LogP5.25
Rot. Bonds9

About 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea

1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea (PubChem CID 11441530) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea
PubChem CID11441530
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea
SMILESCCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-4-9-19(17-10-7-6-8-11-17)27-23-16-25-15-21(28-23)18-12-13-20(22(14-18)31-3)29-24(30)26-5-2/h6-8,10-16,19H,4-5,9H2,1-3H3,(H,27,28)(H2,26,29,30)/t19-/m0/s1
InChIKeyBYWUCYODFIBJCO-IBGZPJMESA-N
XLogP5.25
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea with MolForge

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Related Compounds

Lexibulin
CID 11351021
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N2-(4-(1,2-dimethyl-1H-imidazol-5-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996108
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
CID 23646825
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea
CID 23646826
3-(5-Cyanopyrazin-2-yl)-1-{2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl}urea
CID 23646827
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 23646828
3-(5-Cyanopyrazin-2-yl)-1-[4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)-2-methoxyphenyl]urea
CID 23646829
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
1-(2,2-Dimethyl-propyl)-3-{2-methyl-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10002234

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea (CID 11441530) is 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea is CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea?
The InChIKey is BYWUCYODFIBJCO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N5O2/c1-4-9-19(17-10-7-6-8-11-17)27-23-16-25-15-21(28-23)18-12-13-20(22(14-18)31-3)29-24(30)26-5-2/h6-8,10-16,19H,4-5,9H2,1-3H3,(H,27,28)(H2,26,29,30)/t19-/m0/s1.
What are the key properties of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea?
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea has a molecular weight of 419.53 g/mol, XLogP of 5.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenyl]urea is sourced from PubChem (CID 11441530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).