4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine

C18H17FN4 — CID 112877027

IUPAC4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C18H17FN4/c1-12-6-5-7-14(10-12)22-17-11-18(21-13(2)20-17)23-16-9-4-3-8-15(16)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyMCYMKPCIOKHUGY-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.72
Rot. Bonds4

About 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine

4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112877027) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112877027
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C18H17FN4/c1-12-6-5-7-14(10-12)22-17-11-18(21-13(2)20-17)23-16-9-4-3-8-15(16)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyMCYMKPCIOKHUGY-UHFFFAOYSA-N
XLogP4.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112877078
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112877826
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 112877027) is 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(Nc3ccccc3F)nc(C)n2)c1.
What is the InChIKey of 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is MCYMKPCIOKHUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-12-6-5-7-14(10-12)22-17-11-18(21-13(2)20-17)23-16-9-4-3-8-15(16)19/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine?
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112877027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).