4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine

C13H15FN4 — CID 107541895

IUPAC4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
SMILESCc1cc(CN)nc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-9-6-11(8-15)17-13(16-9)18(2)12-5-3-4-10(14)7-12/h3-7H,8,15H2,1-2H3
InChIKeyKZCYGAYJTIUAOX-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.15
Rot. Bonds3

About 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine

4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 107541895) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
PubChem CID107541895
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
SMILESCc1cc(CN)nc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-9-6-11(8-15)17-13(16-9)18(2)12-5-3-4-10(14)7-12/h3-7H,8,15H2,1-2H3
InChIKeyKZCYGAYJTIUAOX-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-(3-methoxyphenyl)-N,6-dimethylpyrimidin-2-amine
CID 114220031
N-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)hydroxylamine
CID 19893957
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62859359
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162
N-(3-fluorophenyl)-N,4,6-trimethyl-3-(methylaminomethyl)pyridin-2-amine
CID 62293985
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
5-(bromomethyl)-N-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 107082652
4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863481
5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766697
2-(3-hydroxy-N-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107735458

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine (CID 107541895) is 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine is Cc1cc(CN)nc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is KZCYGAYJTIUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-6-11(8-15)17-13(16-9)18(2)12-5-3-4-10(14)7-12/h3-7H,8,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 107541895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).