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

C18H17FN4O — CID 112878300

IUPAC6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C18H17FN4O/c1-12-20-17(22-14-7-5-6-13(19)10-14)11-18(21-12)23-15-8-3-4-9-16(15)24-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyXLCMXYXGLLKFOK-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.42
Rot. Bonds5

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

6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112878300) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112878300
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C18H17FN4O/c1-12-20-17(22-14-7-5-6-13(19)10-14)11-18(21-12)23-15-8-3-4-9-16(15)24-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyXLCMXYXGLLKFOK-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

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Related Compounds

6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
N-[3-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878289
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878205
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878306
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 112878300) is 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is COc1ccccc1Nc1cc(Nc2cccc(F)c2)nc(C)n1.
What is the InChIKey of 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is XLCMXYXGLLKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-20-17(22-14-7-5-6-13(19)10-14)11-18(21-12)23-15-8-3-4-9-16(15)24-2/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
6-N-(3-fluorophenyl)-4-N-(2-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 6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112878300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).