5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

C14H17FN4 — CID 80815897

IUPAC5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN4/c1-4-12-13(16-2)17-9-18-14(12)19(3)11-7-5-10(15)6-8-11/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyVTAGNFROTDBWFD-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.99
Rot. Bonds4

About 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80815897) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80815897
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN4/c1-4-12-13(16-2)17-9-18-14(12)19(3)11-7-5-10(15)6-8-11/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyVTAGNFROTDBWFD-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
4-N-(4-ethylphenyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80817574
N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80908609
4-N,6-N,5-trimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80817833
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80795100
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 46362735
4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80827484
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80774359

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80815897) is 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1N(C)c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is VTAGNFROTDBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-12-13(16-2)17-9-18-14(12)19(3)11-7-5-10(15)6-8-11/h5-9H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80815897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).