6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione

C15H18N4O3 — CID 2457625

IUPAC6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C15H18N4O3/c1-17(10-7-5-4-6-8-10)9-11(20)12-13(16)18(2)15(22)19(3)14(12)21/h4-8H,9,16H2,1-3H3
InChIKeyCFOPUQZLIFOWEG-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.01
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione (PubChem CID 2457625) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
PubChem CID2457625
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C15H18N4O3/c1-17(10-7-5-4-6-8-10)9-11(20)12-13(16)18(2)15(22)19(3)14(12)21/h4-8H,9,16H2,1-3H3
InChIKeyCFOPUQZLIFOWEG-UHFFFAOYSA-N
XLogP-0.01
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione (CID 2457625) is 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione is CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione?
The InChIKey is CFOPUQZLIFOWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-17(10-7-5-4-6-8-10)9-11(20)12-13(16)18(2)15(22)19(3)14(12)21/h4-8H,9,16H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2457625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).