2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine

C14H17FN4 — CID 80656876

IUPAC2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(C)Cc2ccccc2F)n1
InChIInChI=1S/C14H17FN4/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyHLWLOYMJFBUADE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.14
Rot. Bonds4

About 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine

2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80656876) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
PubChem CID80656876
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(C)Cc2ccccc2F)n1
InChIInChI=1S/C14H17FN4/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyHLWLOYMJFBUADE-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656756
2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80657866
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750514
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
CID 80655140
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182066
N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
CID 80657417
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine (CID 80656876) is 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CN(C)Cc2ccccc2F)n1.
What is the InChIKey of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is HLWLOYMJFBUADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 260.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80656876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).