1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione

C31H34F2N4O2 — CID 11421243

IUPAC1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione
SMILESCc1c(-c2cccc(C(C)C)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C31H34F2N4O2/c1-21(2)23-9-7-10-24(19-23)29-22(3)37(20-26-27(32)12-8-13-28(26)33)31(39)36(30(29)38)18-17-35(4)16-14-25-11-5-6-15-34-25/h5-13,15,19,21H,14,16-18,20H2,1-4H3
InChIKeyQJZBHXNXKAYBKF-UHFFFAOYSA-N
MW532.64 g/mol
LogP5.00
Rot. Bonds10

About 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione

1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione (PubChem CID 11421243) has the molecular formula C31H34F2N4O2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione
PubChem CID11421243
Molecular FormulaC31H34F2N4O2
Molecular Weight532.64 g/mol
Exact Mass532.26
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione
SMILESCc1c(-c2cccc(C(C)C)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C31H34F2N4O2/c1-21(2)23-9-7-10-24(19-23)29-22(3)37(20-26-27(32)12-8-13-28(26)33)31(39)36(30(29)38)18-17-35(4)16-14-25-11-5-6-15-34-25/h5-13,15,19,21H,14,16-18,20H2,1-4H3
InChIKeyQJZBHXNXKAYBKF-UHFFFAOYSA-N
XLogP5.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)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 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione (CID 11421243) is 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione is Cc1c(-c2cccc(C(C)C)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione?
The InChIKey is QJZBHXNXKAYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O2/c1-21(2)23-9-7-10-24(19-23)29-22(3)37(20-26-27(32)12-8-13-28(26)33)31(39)36(30(29)38)18-17-35(4)16-14-25-11-5-6-15-34-25/h5-13,15,19,21H,14,16-18,20H2,1-4H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione?
1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione has a molecular weight of 532.64 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-5-(3-propan-2-ylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11421243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).