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

C19H25N5O2 — CID 21034120

IUPAC1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1ccc(OCC2CCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C19H25N5O2/c1-13-6-7-17(26-12-15-5-4-8-24(15)3)16(9-13)22-19(25)23-18-11-20-14(2)10-21-18/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H2,21,22,23,25)
InChIKeyCBRUDKHLBYMVJQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.21
Rot. Bonds5

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

1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 21034120) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID21034120
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1ccc(OCC2CCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1
InChIInChI=1S/C19H25N5O2/c1-13-6-7-17(26-12-15-5-4-8-24(15)3)16(9-13)22-19(25)23-18-11-20-14(2)10-21-18/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H2,21,22,23,25)
InChIKeyCBRUDKHLBYMVJQ-UHFFFAOYSA-N
XLogP3.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956016
1-[5-methyl-2-[3-(1-methylpiperidin-3-yl)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 142167522
1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
CID 11654744
1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956017
1-[2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11625981
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
N-(2-methoxy-5-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110860294
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-pyrazin-2-ylurea
CID 22046416
1-(1,5-dimethyl-2-oxo-3-pyridinyl)-3-(5-methylpyrazin-2-yl)urea
CID 24966363

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 21034120) is 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1ccc(OCC2CCCN2C)c(NC(=O)Nc2cnc(C)cn2)c1.
What is the InChIKey of 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is CBRUDKHLBYMVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-6-7-17(26-12-15-5-4-8-24(15)3)16(9-13)22-19(25)23-18-11-20-14(2)10-21-18/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H2,21,22,23,25).
What are the key properties of 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 355.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 21034120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).