1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

C19H26N6O2 — CID 11956016

IUPAC1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1ccc(OCC2CNCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C19H26N6O2/c1-13-4-5-17(27-12-15-10-20-6-7-25(15)3)16(8-13)23-19(26)24-18-11-21-14(2)9-22-18/h4-5,8-9,11,15,20H,6-7,10,12H2,1-3H3,(H2,22,23,24,26)
InChIKeyXOPQPCNRIUADBJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.02
Rot. Bonds5

About 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 11956016) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID11956016
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1ccc(OCC2CNCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C19H26N6O2/c1-13-4-5-17(27-12-15-10-20-6-7-25(15)3)16(8-13)23-19(26)24-18-11-21-14(2)9-22-18/h4-5,8-9,11,15,20H,6-7,10,12H2,1-3H3,(H2,22,23,24,26)
InChIKeyXOPQPCNRIUADBJ-UHFFFAOYSA-N
XLogP2.02
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956017
1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 21034120
1-[5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;bis(1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea);1-[5-methyl-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 162035142
1-[5-methyl-2-[3-(1-methylpiperidin-3-yl)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 142167522
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-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11955977
1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
CID 11654744
1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11625981
1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 22046262
1-(1,5-dimethyl-2-oxo-3-pyridinyl)-3-(5-methylpyrazin-2-yl)urea
CID 24966363
1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 22046500

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 11956016) is 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1ccc(OCC2CNCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1.
What is the InChIKey of 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is XOPQPCNRIUADBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-4-5-17(27-12-15-10-20-6-7-25(15)3)16(8-13)23-19(26)24-18-11-21-14(2)9-22-18/h4-5,8-9,11,15,20H,6-7,10,12H2,1-3H3,(H2,22,23,24,26).
What are the key properties of 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 370.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 11956016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).