N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine

C13H15FN4 — CID 114216152

IUPACN-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(C)c1cccc(F)c1
InChIInChI=1S/C13H15FN4/c1-15-7-10-8-16-9-17-13(10)18(2)12-5-3-4-11(14)6-12/h3-6,8-9,15H,7H2,1-2H3
InChIKeyQUDONWBWJHVNGA-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.10
Rot. Bonds4

About N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine

N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine (PubChem CID 114216152) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
PubChem CID114216152
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(C)c1cccc(F)c1
InChIInChI=1S/C13H15FN4/c1-15-7-10-8-16-9-17-13(10)18(2)12-5-3-4-11(14)6-12/h3-6,8-9,15H,7H2,1-2H3
InChIKeyQUDONWBWJHVNGA-UHFFFAOYSA-N
XLogP2.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105389511
N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66319285
N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81247042
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216195
N-(3-fluorophenyl)-N-methyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66449078
N-(3-fluorophenyl)-N,4,6-trimethyl-3-(methylaminomethyl)pyridin-2-amine
CID 62293985
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
4-N-(3-fluorophenyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 80817532
4-N-(3-fluorophenyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80817921
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine (CID 114216152) is N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine is CNCc1cncnc1N(C)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine?
The InChIKey is QUDONWBWJHVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-15-7-10-8-16-9-17-13(10)18(2)12-5-3-4-11(14)6-12/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine?
N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine has a molecular weight of 246.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).