1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea

C21H19N7O2 — CID 121074248

IUPAC1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1
InChIInChI=1S/C21H19N7O2/c1-30-18-4-2-3-17(11-18)27-21(29)26-16-7-5-15(6-8-16)25-19-12-20(24-13-23-19)28-10-9-22-14-28/h2-14H,1H3,(H,23,24,25)(H2,26,27,29)
InChIKeyIYFAGLFDDYTYPU-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea

1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 121074248) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
PubChem CID121074248
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1
InChIInChI=1S/C21H19N7O2/c1-30-18-4-2-3-17(11-18)27-21(29)26-16-7-5-15(6-8-16)25-19-12-20(24-13-23-19)28-10-9-22-14-28/h2-14H,1H3,(H,23,24,25)(H2,26,27,29)
InChIKeyIYFAGLFDDYTYPU-UHFFFAOYSA-N
XLogP4.06
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
CID 154828685
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
2-(4-chlorophenoxy)-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 121073849
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291339
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea (CID 121074248) is 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1.
What is the InChIKey of 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is IYFAGLFDDYTYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-30-18-4-2-3-17(11-18)27-21(29)26-16-7-5-15(6-8-16)25-19-12-20(24-13-23-19)28-10-9-22-14-28/h2-14H,1H3,(H,23,24,25)(H2,26,27,29).
What are the key properties of 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea?
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 401.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 121074248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).