4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide

C17H20N4O3 — CID 135891201

IUPAC4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide
SMILESCc1nc(C)c(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C17H20N4O3/c1-10-14(17(24)20-11(2)19-10)8-15(22)21(3)9-12-4-6-13(7-5-12)16(18)23/h4-7H,8-9H2,1-3H3,(H2,18,23)(H,19,20,24)
InChIKeyJCIZDYHJNMYEBC-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.69
Rot. Bonds5

About 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide

4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide (PubChem CID 135891201) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide
PubChem CID135891201
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide
SMILESCc1nc(C)c(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C17H20N4O3/c1-10-14(17(24)20-11(2)19-10)8-15(22)21(3)9-12-4-6-13(7-5-12)16(18)23/h4-7H,8-9H2,1-3H3,(H2,18,23)(H,19,20,24)
InChIKeyJCIZDYHJNMYEBC-UHFFFAOYSA-N
XLogP0.69
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide?
The IUPAC name of 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide (CID 135891201) is 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide is Cc1nc(C)c(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)c(=O)[nH]1.
What is the InChIKey of 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide?
The InChIKey is JCIZDYHJNMYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-14(17(24)20-11(2)19-10)8-15(22)21(3)9-12-4-6-13(7-5-12)16(18)23/h4-7H,8-9H2,1-3H3,(H2,18,23)(H,19,20,24).
What are the key properties of 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide?
4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 135891201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).