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

C16H22N4O — CID 136779231

IUPAC2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-5-20(6-2)13-7-8-14(11(3)9-13)18-16-17-12(4)10-15(21)19-16/h7-10H,5-6H2,1-4H3,(H2,17,18,19,21)
InChIKeyPMAJNVYHQLLZMI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.98
Rot. Bonds5

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

2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136779231) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
PubChem CID136779231
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-5-20(6-2)13-7-8-14(11(3)9-13)18-16-17-12(4)10-15(21)19-16/h7-10H,5-6H2,1-4H3,(H2,17,18,19,21)
InChIKeyPMAJNVYHQLLZMI-UHFFFAOYSA-N
XLogP2.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.98
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-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one
CID 136779229
3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
CID 136779233
2-[4-(diethylamino)-2-methylanilino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779228
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779284
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932287
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 135442475
4-[4-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914804
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one (CID 136779231) is 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one is CCN(CC)c1ccc(Nc2nc(C)cc(=O)[nH]2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PMAJNVYHQLLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-20(6-2)13-7-8-14(11(3)9-13)18-16-17-12(4)10-15(21)19-16/h7-10H,5-6H2,1-4H3,(H2,17,18,19,21).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one?
2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 2.98, 5 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).