N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C16H20FN3 — CID 66000022

IUPACN-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)cc(C)cc2C)nc(C)c1F
InChIInChI=1S/C16H20FN3/c1-6-18-16-14(17)12(5)19-15(20-16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3,(H,18,19,20)
InChIKeyJNTPOHNMFONWSK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.95
Rot. Bonds3

About N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 66000022) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID66000022
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)cc(C)cc2C)nc(C)c1F
InChIInChI=1S/C16H20FN3/c1-6-18-16-14(17)12(5)19-15(20-16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3,(H,18,19,20)
InChIKeyJNTPOHNMFONWSK-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 66000022) is N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCNc1nc(-c2c(C)cc(C)cc2C)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is JNTPOHNMFONWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-6-18-16-14(17)12(5)19-15(20-16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3,(H,18,19,20).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 273.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66000022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).