1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea

C20H21N5O3 — CID 50947259

IUPAC1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea
SMILESCOc1cc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc(OC)c1
InChIInChI=1S/C20H21N5O3/c1-13-4-9-19(25-24-13)21-14-5-7-15(8-6-14)22-20(26)23-16-10-17(27-2)12-18(11-16)28-3/h4-12H,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyTUUDNMSNZYEUKQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.19
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea

1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea (PubChem CID 50947259) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea
PubChem CID50947259
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea
SMILESCOc1cc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc(OC)c1
InChIInChI=1S/C20H21N5O3/c1-13-4-9-19(25-24-13)21-14-5-7-15(8-6-14)22-20(26)23-16-10-17(27-2)12-18(11-16)28-3/h4-12H,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyTUUDNMSNZYEUKQ-UHFFFAOYSA-N
XLogP4.19
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea (CID 50947259) is 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea is COc1cc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea?
The InChIKey is TUUDNMSNZYEUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-4-9-19(25-24-13)21-14-5-7-15(8-6-14)22-20(26)23-16-10-17(27-2)12-18(11-16)28-3/h4-12H,1-3H3,(H,21,25)(H2,22,23,26).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea?
1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea has a molecular weight of 379.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[4-[(6-methylpyridazin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 50947259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).