4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one

C25H31N7O3 — CID 156831844

IUPAC4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one
SMILESCc1cccc(N2CC(C)N(c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)C2=O)c1
InChIInChI=1S/C25H31N7O3/c1-18-5-4-6-21(13-18)31-16-19(2)32(25(31)33)23-14-22(30-8-11-34-12-9-30)27-24(28-23)35-10-7-20-15-26-29(3)17-20/h4-6,13-15,17,19H,7-12,16H2,1-3H3
InChIKeyVLSFBHHJHQEDBK-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.81
Rot. Bonds7

About 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one

4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one (PubChem CID 156831844) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one
PubChem CID156831844
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one
SMILESCc1cccc(N2CC(C)N(c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)C2=O)c1
InChIInChI=1S/C25H31N7O3/c1-18-5-4-6-21(13-18)31-16-19(2)32(25(31)33)23-14-22(30-8-11-34-12-9-30)27-24(28-23)35-10-7-20-15-26-29(3)17-20/h4-6,13-15,17,19H,7-12,16H2,1-3H3
InChIKeyVLSFBHHJHQEDBK-UHFFFAOYSA-N
XLogP2.81
TPSA88.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one (CID 156831844) is 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one is Cc1cccc(N2CC(C)N(c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)C2=O)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is VLSFBHHJHQEDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-18-5-4-6-21(13-18)31-16-19(2)32(25(31)33)23-14-22(30-8-11-34-12-9-30)27-24(28-23)35-10-7-20-15-26-29(3)17-20/h4-6,13-15,17,19H,7-12,16H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one?
4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 477.57 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenyl)-3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 156831844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).