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

C19H24N4O3 — CID 55543694

IUPAC6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCC(c3ccccc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-17(20)16(18(25)22(2)19(21)26)15(24)12-23-10-8-14(9-11-23)13-6-4-3-5-7-13/h3-7,14H,8-12,20H2,1-2H3
InChIKeyAUDHUFONYCFBFY-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.73
Rot. Bonds4

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

6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 55543694) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
PubChem CID55543694
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCC(c3ccccc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-17(20)16(18(25)22(2)19(21)26)15(24)12-23-10-8-14(9-11-23)13-6-4-3-5-7-13/h3-7,14H,8-12,20H2,1-2H3
InChIKeyAUDHUFONYCFBFY-UHFFFAOYSA-N
XLogP0.73
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione (CID 55543694) is 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2CCC(c3ccccc3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is AUDHUFONYCFBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-17(20)16(18(25)22(2)19(21)26)15(24)12-23-10-8-14(9-11-23)13-6-4-3-5-7-13/h3-7,14H,8-12,20H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 0.73, 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-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55543694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).