1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea

C25H27N5O3 — CID 159675177

IUPAC1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3ncc(C)c(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C25H27N5O3/c1-17-16-26-23(29-24(17)30-11-13-33-14-12-30)20-5-9-22(10-6-20)28-25(32)27-21-7-3-19(4-8-21)15-18(2)31/h3-10,16H,11-15H2,1-2H3,(H2,27,28,32)
InChIKeyMUMWBSIJWPJQRQ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea

1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea (PubChem CID 159675177) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
PubChem CID159675177
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3ncc(C)c(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C25H27N5O3/c1-17-16-26-23(29-24(17)30-11-13-33-14-12-30)20-5-9-22(10-6-20)28-25(32)27-21-7-3-19(4-8-21)15-18(2)31/h3-10,16H,11-15H2,1-2H3,(H2,27,28,32)
InChIKeyMUMWBSIJWPJQRQ-UHFFFAOYSA-N
XLogP4.06
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
CID 71004541
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)urea
CID 71004511
1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120
1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161161749
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 70975031
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(4-thiomorpholin-4-ylphenyl)urea
CID 67297298
4-[[3-fluoro-4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 71004494
2-[[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzoic acid
CID 154265658
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 87343885
1-[4-(hydroxymethyl)phenyl]-3-[4-(7-iodophosphanyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea
CID 167209468
1-[2-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-[5-(1-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]urea
CID 146750282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The IUPAC name of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea (CID 159675177) is 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea.
What is the SMILES notation for 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The canonical SMILES for 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea is CC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3ncc(C)c(N4CCOCC4)n3)cc2)cc1.
What is the InChIKey of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The InChIKey is MUMWBSIJWPJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-16-26-23(29-24(17)30-11-13-33-14-12-30)20-5-9-22(10-6-20)28-25(32)27-21-7-3-19(4-8-21)15-18(2)31/h3-10,16H,11-15H2,1-2H3,(H2,27,28,32).
What are the key properties of 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea has a molecular weight of 445.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea is sourced from PubChem (CID 159675177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).