2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C16H23F3N4O2 — CID 154785822

IUPAC2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCN(CC(F)(F)F)CC(C)C2)c(=O)[nH]1
InChIInChI=1S/C16H23F3N4O2/c1-10-7-22(9-16(17,18)19)4-5-23(8-10)14(24)6-13-11(2)20-12(3)21-15(13)25/h10H,4-9H2,1-3H3,(H,20,21,25)
InChIKeyDXIDSFNRTOMXFV-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.27
Rot. Bonds3

About 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 154785822) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID154785822
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCN(CC(F)(F)F)CC(C)C2)c(=O)[nH]1
InChIInChI=1S/C16H23F3N4O2/c1-10-7-22(9-16(17,18)19)4-5-23(8-10)14(24)6-13-11(2)20-12(3)21-15(13)25/h10H,4-9H2,1-3H3,(H,20,21,25)
InChIKeyDXIDSFNRTOMXFV-UHFFFAOYSA-N
XLogP1.27
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one 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 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 154785822) is 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCN(CC(F)(F)F)CC(C)C2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is DXIDSFNRTOMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-10-7-22(9-16(17,18)19)4-5-23(8-10)14(24)6-13-11(2)20-12(3)21-15(13)25/h10H,4-9H2,1-3H3,(H,20,21,25).
What are the key properties of 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 360.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-[6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154785822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).