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

C18H23ClN6O2 — CID 11956017

IUPAC1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc(Cl)ccc2OCC2CNCCN2C)cn1
InChIInChI=1S/C18H23ClN6O2/c1-12-8-22-17(10-21-12)24-18(26)23-15-7-13(19)3-4-16(15)27-11-14-9-20-5-6-25(14)2/h3-4,7-8,10,14,20H,5-6,9,11H2,1-2H3,(H2,22,23,24,26)
InChIKeyIYXFSELCOYOIHB-UHFFFAOYSA-N
MW390.88 g/mol
LogP2.36
Rot. Bonds5

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

1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 11956017) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID11956017
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc(Cl)ccc2OCC2CNCCN2C)cn1
InChIInChI=1S/C18H23ClN6O2/c1-12-8-22-17(10-21-12)24-18(26)23-15-7-13(19)3-4-16(15)27-11-14-9-20-5-6-25(14)2/h3-4,7-8,10,14,20H,5-6,9,11H2,1-2H3,(H2,22,23,24,26)
InChIKeyIYXFSELCOYOIHB-UHFFFAOYSA-N
XLogP2.36
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956016
1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 21034120
1-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 18449131
3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylcarbamic acid
CID 18449142
1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
CID 143303789
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-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-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
N-[2-chloro-4-[(5-methylpyrazin-2-yl)carbamoylamino]-5-[[(2S)-morpholin-2-yl]methoxy]phenyl]-2-methylpropanamide
CID 11956094
1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11625981
1-[5-chloro-4-methylsulfanyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11955457

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 11956017) is 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OCC2CNCCN2C)cn1.
What is the InChIKey of 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is IYXFSELCOYOIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-12-8-22-17(10-21-12)24-18(26)23-15-7-13(19)3-4-16(15)27-11-14-9-20-5-6-25(14)2/h3-4,7-8,10,14,20H,5-6,9,11H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 390.88 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 11956017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).