3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one

C16H21N3O — CID 63769355

IUPAC3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
SMILESCCNC(Cn1cnccc1=O)c1ccc(C)cc1C
InChIInChI=1S/C16H21N3O/c1-4-18-15(10-19-11-17-8-7-16(19)20)14-6-5-12(2)9-13(14)3/h5-9,11,15,18H,4,10H2,1-3H3
InChIKeyDNSLUQSQILKJEJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds5

About 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one

3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one (PubChem CID 63769355) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
PubChem CID63769355
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
SMILESCCNC(Cn1cnccc1=O)c1ccc(C)cc1C
InChIInChI=1S/C16H21N3O/c1-4-18-15(10-19-11-17-8-7-16(19)20)14-6-5-12(2)9-13(14)3/h5-9,11,15,18H,4,10H2,1-3H3
InChIKeyDNSLUQSQILKJEJ-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyridin-2-one
CID 62962661
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
CID 63768833
1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
CID 80580469
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769538
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002816
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one (CID 63769355) is 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one is CCNC(Cn1cnccc1=O)c1ccc(C)cc1C.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one?
The InChIKey is DNSLUQSQILKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-18-15(10-19-11-17-8-7-16(19)20)14-6-5-12(2)9-13(14)3/h5-9,11,15,18H,4,10H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one?
3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63769355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).