2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one

C19H20N4O — CID 59205156

IUPAC2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2nccc(=O)[nH]2)cc1N(C)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-14-8-9-16(21-19-20-11-10-18(24)22-19)12-17(14)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,24)
InChIKeyMUMNJTRTFCRKTK-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.46
Rot. Bonds5

About 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one

2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one (PubChem CID 59205156) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one
PubChem CID59205156
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2nccc(=O)[nH]2)cc1N(C)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-14-8-9-16(21-19-20-11-10-18(24)22-19)12-17(14)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,24)
InChIKeyMUMNJTRTFCRKTK-UHFFFAOYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one (CID 59205156) is 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one is Cc1ccc(Nc2nccc(=O)[nH]2)cc1N(C)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one?
The InChIKey is MUMNJTRTFCRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-8-9-16(21-19-20-11-10-18(24)22-19)12-17(14)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one?
2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one has a molecular weight of 320.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]-4-methylanilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 59205156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).