4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

C18H16F2N4 — CID 112872510

IUPAC4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccc(F)cc2)cc(Nc2ccccc2F)n1
InChIInChI=1S/C18H16F2N4/c1-12-22-17(21-11-13-6-8-14(19)9-7-13)10-18(23-12)24-16-5-3-2-4-15(16)20/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyYVIPYIZRNBVOFE-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.42
Rot. Bonds5

About 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112872510) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112872510
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccc(F)cc2)cc(Nc2ccccc2F)n1
InChIInChI=1S/C18H16F2N4/c1-12-22-17(21-11-13-6-8-14(19)9-7-13)10-18(23-12)24-16-5-3-2-4-15(16)20/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyYVIPYIZRNBVOFE-UHFFFAOYSA-N
XLogP4.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112872572
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
4-N-(2,4-difluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875018
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
2-[[6-[(4-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112872762
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873789
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 112872510) is 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCc2ccc(F)cc2)cc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is YVIPYIZRNBVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-12-22-17(21-11-13-6-8-14(19)9-7-13)10-18(23-12)24-16-5-3-2-4-15(16)20/h2-10H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 326.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).