(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one

C19H21N7O — CID 53346497

IUPAC(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one
SMILESCCn1cc([C@]2(c3cccc(-c4cncnc4)c3)N[C@H](N)N(C)C2=O)cn1
InChIInChI=1S/C19H21N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12,18,24H,3,20H2,1-2H3/t18-,19-/m0/s1
InChIKeyDZQQMNYMHZLIQJ-OALUTQOASA-N
MW363.43 g/mol
LogP0.91
Rot. Bonds4

About (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one

(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one (PubChem CID 53346497) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one
PubChem CID53346497
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one
SMILESCCn1cc([C@]2(c3cccc(-c4cncnc4)c3)N[C@H](N)N(C)C2=O)cn1
InChIInChI=1S/C19H21N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12,18,24H,3,20H2,1-2H3/t18-,19-/m0/s1
InChIKeyDZQQMNYMHZLIQJ-OALUTQOASA-N
XLogP0.91
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one?
The IUPAC name of (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one (CID 53346497) is (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one.
What is the SMILES notation for (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one?
The canonical SMILES for (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one is CCn1cc([C@]2(c3cccc(-c4cncnc4)c3)N[C@H](N)N(C)C2=O)cn1.
What is the InChIKey of (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one?
The InChIKey is DZQQMNYMHZLIQJ-OALUTQOASA-N. The full InChI is InChI=1S/C19H21N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12,18,24H,3,20H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one?
(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one has a molecular weight of 363.43 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one is sourced from PubChem (CID 53346497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).