2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine

C14H17FN4 — CID 80657940

IUPAC2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-10-8-13(16-2)18-14(17-10)9-19(3)12-6-4-11(15)5-7-12/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyBFEKCRQEYDUTRU-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.60
Rot. Bonds4

About 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657940) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80657940
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4/c1-10-8-13(16-2)18-14(17-10)9-19(3)12-6-4-11(15)5-7-12/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyBFEKCRQEYDUTRU-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80657850
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
CID 80657330
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
CID 103055908
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80657940) is 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(CN(C)c2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is BFEKCRQEYDUTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-8-13(16-2)18-14(17-10)9-19(3)12-6-4-11(15)5-7-12/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 260.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).