2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one

C13H16N4O — CID 135459603

IUPAC2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C13H16N4O/c1-9-8-12(18)16-13(14-9)15-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3,(H2,14,15,16,18)
InChIKeyFUAVDVUSICOAKE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.89
Rot. Bonds3

About 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one

2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459603) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135459603
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C13H16N4O/c1-9-8-12(18)16-13(14-9)15-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3,(H2,14,15,16,18)
InChIKeyFUAVDVUSICOAKE-UHFFFAOYSA-N
XLogP1.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.89
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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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
6-(methylanilino)-2,4(1H,3H)-pyrimidinedione
CID 309819
2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-(methylphenylamino)-
CID 181503
1-[4-(Dimethylamino)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 427456
6-Anilino-1,3-dimethylpyrimidine-2,4-dione
CID 726711
6-Methyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 608692

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one (CID 135459603) is 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FUAVDVUSICOAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-12(18)16-13(14-9)15-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3,(H2,14,15,16,18).
What are the key properties of 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one?
2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 244.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).