1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea

C21H19N7O — CID 121072953

IUPAC1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
SMILESCc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C21H19N7O/c1-15-23-19(14-20(24-15)28-13-5-12-22-28)25-17-8-10-18(11-9-17)27-21(29)26-16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24,25)(H2,26,27,29)
InChIKeyXJGYFYUBXUHGOF-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.36
Rot. Bonds5

About 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea

1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea (PubChem CID 121072953) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
PubChem CID121072953
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
SMILESCc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C21H19N7O/c1-15-23-19(14-20(24-15)28-13-5-12-22-28)25-17-8-10-18(11-9-17)27-21(29)26-16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24,25)(H2,26,27,29)
InChIKeyXJGYFYUBXUHGOF-UHFFFAOYSA-N
XLogP4.36
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072973
1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122290550
1-(2,3-dimethylphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072972
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072741
2,2-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072744
1-(3-chloro-4-methoxyphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072961
2-iodo-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072850
4-cyano-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290401
4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 99980122
2,4-dichloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072769
2,4-difluoro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072795
(2S)-2-(2-fluorophenoxy)-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122290489

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea (CID 121072953) is 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea is Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(-n2cccn2)n1.
What is the InChIKey of 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
The InChIKey is XJGYFYUBXUHGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-15-23-19(14-20(24-15)28-13-5-12-22-28)25-17-8-10-18(11-9-17)27-21(29)26-16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24,25)(H2,26,27,29).
What are the key properties of 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea has a molecular weight of 385.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea is sourced from PubChem (CID 121072953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).