N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C13H23FN6 — CID 142173840

IUPACN-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNCc1c(NCCF)ncnc1N1CCN(C)CC1
InChIInChI=1S/C13H23FN6/c1-15-9-11-12(16-4-3-14)17-10-18-13(11)20-7-5-19(2)6-8-20/h10,15H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyAYEXNPBEFMDINO-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.33
Rot. Bonds6

About N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 142173840) has the molecular formula C13H23FN6 and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID142173840
Molecular FormulaC13H23FN6
Molecular Weight282.37 g/mol
Exact Mass282.20
IUPAC NameN-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNCc1c(NCCF)ncnc1N1CCN(C)CC1
InChIInChI=1S/C13H23FN6/c1-15-9-11-12(16-4-3-14)17-10-18-13(11)20-7-5-19(2)6-8-20/h10,15H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyAYEXNPBEFMDINO-UHFFFAOYSA-N
XLogP0.33
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

RP 55462
CID 128094
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 54754351
N-(3,3-dimethylbutyl)-6-(piperazin-1-yl)pyrimidin-4-amine
CID 57394628
6-(4-Methylpiperazin-1-yl)-N-neopentylpyrimidin-4-amine
CID 57403350
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151093
4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567736
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
5-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86276657

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 142173840) is N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CNCc1c(NCCF)ncnc1N1CCN(C)CC1.
What is the InChIKey of N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is AYEXNPBEFMDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN6/c1-15-9-11-12(16-4-3-14)17-10-18-13(11)20-7-5-19(2)6-8-20/h10,15H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 282.37 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-(methylaminomethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 142173840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).