1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea

C25H31N5O2 — CID 11774853

IUPAC1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea
SMILESCCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)cnc1C)c1ccccc1
InChIInChI=1S/C25H31N5O2/c1-5-10-20(18-11-8-7-9-12-18)28-24-17(3)27-16-22(29-24)19-13-14-21(23(15-19)32-4)30-25(31)26-6-2/h7-9,11-16,20H,5-6,10H2,1-4H3,(H,28,29)(H2,26,30,31)
InChIKeyNBIHRJMKLLFBCR-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.56
Rot. Bonds9

About 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea

1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea (PubChem CID 11774853) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea
PubChem CID11774853
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea
SMILESCCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)cnc1C)c1ccccc1
InChIInChI=1S/C25H31N5O2/c1-5-10-20(18-11-8-7-9-12-18)28-24-17(3)27-16-22(29-24)19-13-14-21(23(15-19)32-4)30-25(31)26-6-2/h7-9,11-16,20H,5-6,10H2,1-4H3,(H,28,29)(H2,26,30,31)
InChIKeyNBIHRJMKLLFBCR-UHFFFAOYSA-N
XLogP5.56
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)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-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea (CID 11774853) is 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea is CCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)cnc1C)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea?
The InChIKey is NBIHRJMKLLFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-5-10-20(18-11-8-7-9-12-18)28-24-17(3)27-16-22(29-24)19-13-14-21(23(15-19)32-4)30-25(31)26-6-2/h7-9,11-16,20H,5-6,10H2,1-4H3,(H,28,29)(H2,26,30,31).
What are the key properties of 1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea?
1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea has a molecular weight of 433.56 g/mol, XLogP of 5.56, 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-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea is sourced from PubChem (CID 11774853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).