3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea

C19H26N4O — CID 97072080

IUPAC3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCc1cccc([C@H](NC(=O)N(C)Cc2cnccn2)C(C)(C)C)c1
InChIInChI=1S/C19H26N4O/c1-14-7-6-8-15(11-14)17(19(2,3)4)22-18(24)23(5)13-16-12-20-9-10-21-16/h6-12,17H,13H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyNTKWTIWRTHWCAJ-KRWDZBQOSA-N
MW326.44 g/mol
LogP3.71
Rot. Bonds4

About 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea

3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea (PubChem CID 97072080) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
PubChem CID97072080
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCc1cccc([C@H](NC(=O)N(C)Cc2cnccn2)C(C)(C)C)c1
InChIInChI=1S/C19H26N4O/c1-14-7-6-8-15(11-14)17(19(2,3)4)22-18(24)23(5)13-16-12-20-9-10-21-16/h6-12,17H,13H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyNTKWTIWRTHWCAJ-KRWDZBQOSA-N
XLogP3.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 95969377
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 26395678
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 72926210
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 154754970
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
CID 50983286
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
CID 135102058
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
1-[(1S)-2,2-dimethyl-1-(3-methylphenyl)propyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 97072083
1-[2,2-dimethyl-1-(3-methylphenyl)propyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71924348
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea (CID 97072080) is 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea is Cc1cccc([C@H](NC(=O)N(C)Cc2cnccn2)C(C)(C)C)c1.
What is the InChIKey of 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The InChIKey is NTKWTIWRTHWCAJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-7-6-8-15(11-14)17(19(2,3)4)22-18(24)23(5)13-16-12-20-9-10-21-16/h6-12,17H,13H2,1-5H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea has a molecular weight of 326.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 97072080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).