2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one

C21H24N4O — CID 136779229

IUPAC2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)17-11-12-18(15(3)13-17)22-21-23-19(14-20(26)24-21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,22,23,24,26)
InChIKeyHSVILLUBPYYLPK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one

2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136779229) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136779229
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)17-11-12-18(15(3)13-17)22-21-23-19(14-20(26)24-21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,22,23,24,26)
InChIKeyHSVILLUBPYYLPK-UHFFFAOYSA-N
XLogP4.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one (CID 136779229) is 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one is CCN(CC)c1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is HSVILLUBPYYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(5-2)17-11-12-18(15(3)13-17)22-21-23-19(14-20(26)24-21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,22,23,24,26).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one?
2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).