2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C22H22N6O — CID 46231497

IUPAC2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCC(C)c1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27)
InChIKeyWEPVSZQVQNITEF-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 46231497) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID46231497
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCC(C)c1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27)
InChIKeyWEPVSZQVQNITEF-UHFFFAOYSA-N
XLogP2.69
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 46231497) is 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CC(C)c1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1.
What is the InChIKey of 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is WEPVSZQVQNITEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14(2)19-10-18(7-8-26-19)22(20(29)28(3)21(23)27-22)17-6-4-5-15(9-17)16-11-24-13-25-12-16/h4-14H,1-3H3,(H2,23,27).
What are the key properties of 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 386.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(2-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 46231497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).