4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine

C15H18ClFN4 — CID 112924247

IUPAC4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H18ClFN4/c1-4-21(5-2)15-18-10(3)8-14(20-15)19-11-6-7-13(17)12(16)9-11/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyNUCGDZGWRKFZSM-UHFFFAOYSA-N
MW308.79 g/mol
LogP4.17
Rot. Bonds5

About 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine

4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112924247) has the molecular formula C15H18ClFN4 and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112924247
Molecular FormulaC15H18ClFN4
Molecular Weight308.79 g/mol
Exact Mass308.12
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H18ClFN4/c1-4-21(5-2)15-18-10(3)8-14(20-15)19-11-6-7-13(17)12(16)9-11/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyNUCGDZGWRKFZSM-UHFFFAOYSA-N
XLogP4.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-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

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924300
4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924252
4-N-(2-chlorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924240
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876661
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112930165
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934
N-(3-chloro-4-fluorophenyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112636601
N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334146
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922275
3-N-(3-chloro-4-fluorophenyl)-5-N-[4-(diethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966687
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112924247) is 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1nc(C)cc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is NUCGDZGWRKFZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4/c1-4-21(5-2)15-18-10(3)8-14(20-15)19-11-6-7-13(17)12(16)9-11/h6-9H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 308.79 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).