1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea

C28H35N5O3 — CID 16735877

IUPAC1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1cc(C)nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
InChIInChI=1S/C28H35N5O3/c1-22-21-26(35-2)30-27(29-22)31-28(34)33(16-15-32-17-19-36-20-18-32)14-13-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,21,25H,13-20H2,1-2H3,(H,29,30,31,34)
InChIKeyKLPWRARQXSFKDK-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.18
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16735877) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID16735877
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1cc(C)nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
InChIInChI=1S/C28H35N5O3/c1-22-21-26(35-2)30-27(29-22)31-28(34)33(16-15-32-17-19-36-20-18-32)14-13-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,21,25H,13-20H2,1-2H3,(H,29,30,31,34)
InChIKeyKLPWRARQXSFKDK-UHFFFAOYSA-N
XLogP4.18
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
4-Methyl-6-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722996
4-[3-(4-Ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722997
N-benzyl-4-(2-(dimethylamino)ethoxy)-6-methylpyrimidin-2-amine
CID 846090
4-[3-(6-Methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine
CID 118722983
4-[4-(6-Methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine
CID 118722984
4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine
CID 118722987
[3-(2-Amino-6-phenylpyrimidin-4-yl)phenyl] morpholine-4-carboxylate
CID 127036830
4-(1-Acetylpiperidin-4-yl)-6-(4-methoxybenzyl)pyrimidin-2-amine
CID 44275754
4-[4-Methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine
CID 659795
4-[2-(6-Methyl-2-phenylpyrimidin-4-yl)oxyethyl]morpholine
CID 21760765
N-(4-(4-Fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl)2-morpholinoacetamide
CID 46192048

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea (CID 16735877) is 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea is COc1cc(C)nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is KLPWRARQXSFKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-22-21-26(35-2)30-27(29-22)31-28(34)33(16-15-32-17-19-36-20-18-32)14-13-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,21,25H,13-20H2,1-2H3,(H,29,30,31,34).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 489.62 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16735877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).