1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea

C17H20N4O2 — CID 75432482

IUPAC1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea
SMILESCc1nccc(Oc2ccc(NC(=O)NC3(C)CCC3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-18-11-8-15(19-12)23-14-6-4-13(5-7-14)20-16(22)21-17(2)9-3-10-17/h4-8,11H,3,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyXPCJRGRTIQXLEZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.64
Rot. Bonds4

About 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea

1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea (PubChem CID 75432482) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea
PubChem CID75432482
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea
SMILESCc1nccc(Oc2ccc(NC(=O)NC3(C)CCC3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-18-11-8-15(19-12)23-14-6-4-13(5-7-14)20-16(22)21-17(2)9-3-10-17/h4-8,11H,3,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyXPCJRGRTIQXLEZ-UHFFFAOYSA-N
XLogP3.64
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide
CID 97321399
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
4-(4-aminophenoxy)pyrimidin-2-amine;1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 160708117
1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 119340030
N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 21486829
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122313433
1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-[4-[2-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 11260063
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
CID 150515744
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea (CID 75432482) is 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea is Cc1nccc(Oc2ccc(NC(=O)NC3(C)CCC3)cc2)n1.
What is the InChIKey of 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea?
The InChIKey is XPCJRGRTIQXLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-18-11-8-15(19-12)23-14-6-4-13(5-7-14)20-16(22)21-17(2)9-3-10-17/h4-8,11H,3,9-10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea?
1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 75432482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).