1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one

C24H31N5O2 — CID 58942275

IUPAC1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
SMILESCCOCn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2cccc(C)c2)c1=O
InChIInChI=1S/C24H31N5O2/c1-4-31-16-28-15-22(29(24(28)30)20-7-5-6-18(3)14-20)21-12-13-25-23(27-21)26-19-10-8-17(2)9-11-19/h5-7,12-15,17,19H,4,8-11,16H2,1-3H3,(H,25,26,27)
InChIKeyUJASAMKJLJEKMA-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.39
Rot. Bonds7

About 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one

1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one (PubChem CID 58942275) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
PubChem CID58942275
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
SMILESCCOCn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2cccc(C)c2)c1=O
InChIInChI=1S/C24H31N5O2/c1-4-31-16-28-15-22(29(24(28)30)20-7-5-6-18(3)14-20)21-12-13-25-23(27-21)26-19-10-8-17(2)9-11-19/h5-7,12-15,17,19H,4,8-11,16H2,1-3H3,(H,25,26,27)
InChIKeyUJASAMKJLJEKMA-UHFFFAOYSA-N
XLogP4.39
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
The IUPAC name of 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one (CID 58942275) is 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one.
What is the SMILES notation for 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
The canonical SMILES for 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one is CCOCn1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2cccc(C)c2)c1=O.
What is the InChIKey of 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
The InChIKey is UJASAMKJLJEKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-31-16-28-15-22(29(24(28)30)20-7-5-6-18(3)14-20)21-12-13-25-23(27-21)26-19-10-8-17(2)9-11-19/h5-7,12-15,17,19H,4,8-11,16H2,1-3H3,(H,25,26,27).
What are the key properties of 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one?
1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one has a molecular weight of 421.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one is sourced from PubChem (CID 58942275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).