2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide

C18H24N4O2 — CID 135990333

IUPAC2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCc1nc(-c2ccc(CN(C)CC(=O)N(C)C)cc2)[nH]c(=O)c1C
InChIInChI=1S/C18H24N4O2/c1-12-13(2)19-17(20-18(12)24)15-8-6-14(7-9-15)10-22(5)11-16(23)21(3)4/h6-9H,10-11H2,1-5H3,(H,19,20,24)
InChIKeyYRUMBGLJMIOJAE-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.57
Rot. Bonds5

About 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide

2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 135990333) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide
PubChem CID135990333
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCc1nc(-c2ccc(CN(C)CC(=O)N(C)C)cc2)[nH]c(=O)c1C
InChIInChI=1S/C18H24N4O2/c1-12-13(2)19-17(20-18(12)24)15-8-6-14(7-9-15)10-22(5)11-16(23)21(3)4/h6-9H,10-11H2,1-5H3,(H,19,20,24)
InChIKeyYRUMBGLJMIOJAE-UHFFFAOYSA-N
XLogP1.57
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid
CID 154890364
2-(4-ethylsulfanylphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136673830
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-[4-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]phenyl]-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154891942
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611424
2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 137000727
4,5-dimethyl-2-[6-[methyl(3-methylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137275142
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 43216141
2-[6-[benzyl(cyclopropyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137271933
3-[2-(4-fluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973653

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide (CID 135990333) is 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide is Cc1nc(-c2ccc(CN(C)CC(=O)N(C)C)cc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is YRUMBGLJMIOJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-13(2)19-17(20-18(12)24)15-8-6-14(7-9-15)10-22(5)11-16(23)21(3)4/h6-9H,10-11H2,1-5H3,(H,19,20,24).
What are the key properties of 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide?
2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 328.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 135990333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).