1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea

C22H30N6O4 — CID 11711913

IUPAC1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
SMILESCc1cccc(NC(=O)Nc2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H30N6O4/c1-17-3-2-4-18(15-17)23-22(29)25-19-16-20(32-14-7-27-5-10-30-11-6-27)26-21(24-19)28-8-12-31-13-9-28/h2-4,15-16H,5-14H2,1H3,(H2,23,24,25,26,29)
InChIKeyWWWAMEUGIUGCKH-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea

1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea (PubChem CID 11711913) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
PubChem CID11711913
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC Name1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
SMILESCc1cccc(NC(=O)Nc2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H30N6O4/c1-17-3-2-4-18(15-17)23-22(29)25-19-16-20(32-14-7-27-5-10-30-11-6-27)26-21(24-19)28-8-12-31-13-9-28/h2-4,15-16H,5-14H2,1H3,(H2,23,24,25,26,29)
InChIKeyWWWAMEUGIUGCKH-UHFFFAOYSA-N
XLogP1.98
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635
1-[6-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropoxy]-2-morpholin-4-ylpyrimidin-4-yl]-3-(3-methylphenyl)urea
CID 68517177
N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 58808808
1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
CID 71193790
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 91415700
1-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59258756
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea (CID 11711913) is 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea is Cc1cccc(NC(=O)Nc2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea?
The InChIKey is WWWAMEUGIUGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-17-3-2-4-18(15-17)23-22(29)25-19-16-20(32-14-7-27-5-10-30-11-6-27)26-21(24-19)28-8-12-31-13-9-28/h2-4,15-16H,5-14H2,1H3,(H2,23,24,25,26,29).
What are the key properties of 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea?
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea has a molecular weight of 442.52 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea is sourced from PubChem (CID 11711913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).