3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione

C14H17N3O2 — CID 165040146

IUPAC3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(CCNc2cc(=O)n(C)c(=O)[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17(2)14(19)16-12/h3-6,9,15H,7-8H2,1-2H3,(H,16,19)
InChIKeyKPGWIOGFULRXNA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.04
Rot. Bonds4

About 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione

3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione (PubChem CID 165040146) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
PubChem CID165040146
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(CCNc2cc(=O)n(C)c(=O)[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17(2)14(19)16-12/h3-6,9,15H,7-8H2,1-2H3,(H,16,19)
InChIKeyKPGWIOGFULRXNA-UHFFFAOYSA-N
XLogP1.04
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-[12-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]dodecylamino]-1H-pyrimidine-2,4-dione
CID 13161715
6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 12782102
6-[(2-benzyl-3-hydroxy-2-methylpropyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
CID 167972287
6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 777243
6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
CID 129499114
3-(1-adamantyl)-6-[(4-methylphenyl)methylamino]-1H-pyrimidine-2,4-dione
CID 90489831
6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025748
4-[2-(4-methylphenyl)ethylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143658
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
1-methyl-N-[2-(4-methylphenyl)ethyl]pyrazol-3-amine
CID 75517812
6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 67268272
3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-2,4-dione
CID 4123575

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione (CID 165040146) is 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione is Cc1ccc(CCNc2cc(=O)n(C)c(=O)[nH]2)cc1.
What is the InChIKey of 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is KPGWIOGFULRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17(2)14(19)16-12/h3-6,9,15H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(4-methylphenyl)ethylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165040146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).