6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione

C20H28F2N4O3 — CID 19011962

IUPAC6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCCCN(CCO)CCCc2cc(F)cc(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H28F2N4O3/c1-24-18(14-19(28)25(2)20(24)29)23-6-4-8-26(9-10-27)7-3-5-15-11-16(21)13-17(22)12-15/h11-14,23,27H,3-10H2,1-2H3
InChIKeyRKRMCIAWSXFALW-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.09
Rot. Bonds11

About 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 19011962) has the molecular formula C20H28F2N4O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID19011962
Molecular FormulaC20H28F2N4O3
Molecular Weight410.47 g/mol
Exact Mass410.21
IUPAC Name6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCCCN(CCO)CCCc2cc(F)cc(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H28F2N4O3/c1-24-18(14-19(28)25(2)20(24)29)23-6-4-8-26(9-10-27)7-3-5-15-11-16(21)13-17(22)12-15/h11-14,23,27H,3-10H2,1-2H3
InChIKeyRKRMCIAWSXFALW-UHFFFAOYSA-N
XLogP1.09
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-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-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 19011962) is 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NCCCN(CCO)CCCc2cc(F)cc(F)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RKRMCIAWSXFALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O3/c1-24-18(14-19(28)25(2)20(24)29)23-6-4-8-26(9-10-27)7-3-5-15-11-16(21)13-17(22)12-15/h11-14,23,27H,3-10H2,1-2H3.
What are the key properties of 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 1.09, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(3,5-difluorophenyl)propyl-(2-hydroxyethyl)amino]propylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 19011962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).