(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C23H24N6O — CID 16726085

IUPAC(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1
InChIKeyQQPRKWVAAAEILV-QHCPKHFHSA-N
MW400.49 g/mol
LogP2.69
Rot. Bonds5

About (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 16726085) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID16726085
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1
InChIKeyQQPRKWVAAAEILV-QHCPKHFHSA-N
XLogP2.69
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 16726085) is (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(CC)n1.
What is the InChIKey of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is QQPRKWVAAAEILV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1.
What are the key properties of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 400.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 16726085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).