1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea

C20H21N5O2 — CID 42474616

IUPAC1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
SMILESCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C20H21N5O2/c1-3-27-19-13-18(21-14(2)22-19)23-16-9-11-17(12-10-16)25-20(26)24-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,21,22,23)(H2,24,25,26)
InChIKeyJBRRDITURBQYQG-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.57
Rot. Bonds6

About 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea

1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea (PubChem CID 42474616) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
PubChem CID42474616
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
SMILESCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C20H21N5O2/c1-3-27-19-13-18(21-14(2)22-19)23-16-9-11-17(12-10-16)25-20(26)24-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,21,22,23)(H2,24,25,26)
InChIKeyJBRRDITURBQYQG-UHFFFAOYSA-N
XLogP4.57
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 42474625
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884
1-(2-ethoxyphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea
CID 42474648
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 42474427
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
CID 42474406
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
1-(2-ethoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297608
2-chloro-5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333309
1-(4-ethoxyphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072973
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 42474443
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(2-ethoxyphenyl)urea
CID 122296675
2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea (CID 42474616) is 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea is CCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
The InChIKey is JBRRDITURBQYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-27-19-13-18(21-14(2)22-19)23-16-9-11-17(12-10-16)25-20(26)24-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,21,22,23)(H2,24,25,26).
What are the key properties of 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea?
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea has a molecular weight of 363.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea is sourced from PubChem (CID 42474616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).