1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea

C22H29ClN6O3 — CID 71193790

IUPAC1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(OCCN2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H29ClN6O3/c23-17-4-6-18(7-5-17)24-22(30)26-19-16-20(32-15-12-28-10-13-31-14-11-28)27-21(25-19)29-8-2-1-3-9-29/h4-7,16H,1-3,8-15H2,(H2,24,25,26,27,30)
InChIKeyFIPAAZZNTKFZRN-UHFFFAOYSA-N
MW460.97 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea

1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea (PubChem CID 71193790) has the molecular formula C22H29ClN6O3 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
PubChem CID71193790
Molecular FormulaC22H29ClN6O3
Molecular Weight460.97 g/mol
Exact Mass460.20
IUPAC Name1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(OCCN2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H29ClN6O3/c23-17-4-6-18(7-5-17)24-22(30)26-19-16-20(32-15-12-28-10-13-31-14-11-28)27-21(25-19)29-8-2-1-3-9-29/h4-7,16H,1-3,8-15H2,(H2,24,25,26,27,30)
InChIKeyFIPAAZZNTKFZRN-UHFFFAOYSA-N
XLogP3.48
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
1-(3-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
CID 69346336
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea (CID 71193790) is 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cc(OCCN2CCOCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea?
The InChIKey is FIPAAZZNTKFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O3/c23-17-4-6-18(7-5-17)24-22(30)26-19-16-20(32-15-12-28-10-13-31-14-11-28)27-21(25-19)29-8-2-1-3-9-29/h4-7,16H,1-3,8-15H2,(H2,24,25,26,27,30).
What are the key properties of 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea?
1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea has a molecular weight of 460.97 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea is sourced from PubChem (CID 71193790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).