4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine

C18H17FN4O — CID 112877814

IUPAC4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C18H17FN4O/c1-12-20-17(22-13-7-9-14(24-2)10-8-13)11-18(21-12)23-16-6-4-3-5-15(16)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyJDTVQCRHEZEMRQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.42
Rot. Bonds5

About 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine

4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877814) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877814
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C18H17FN4O/c1-12-20-17(22-13-7-9-14(24-2)10-8-13)11-18(21-12)23-16-6-4-3-5-15(16)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyJDTVQCRHEZEMRQ-UHFFFAOYSA-N
XLogP4.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-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

4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 112877814) is 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3ccccc3F)nc(C)n2)cc1.
What is the InChIKey of 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is JDTVQCRHEZEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-20-17(22-13-7-9-14(24-2)10-8-13)11-18(21-12)23-16-6-4-3-5-15(16)19/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 324.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).