N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine

C16H20FN3 — CID 115502727

IUPACN,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-c2ccc(C)c(F)c2)c1C
InChIInChI=1S/C16H20FN3/c1-5-14-19-15(11(4)16(20-14)18-6-2)12-8-7-10(3)13(17)9-12/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyDQYNPGBKOOLUAF-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.89
Rot. Bonds4

About N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine

N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 115502727) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID115502727
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-c2ccc(C)c(F)c2)c1C
InChIInChI=1S/C16H20FN3/c1-5-14-19-15(11(4)16(20-14)18-6-2)12-8-7-10(3)13(17)9-12/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyDQYNPGBKOOLUAF-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80978174
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428
6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
N,2-diethyl-5-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80976457
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 113324439
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977618

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine (CID 115502727) is N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(-c2ccc(C)c(F)c2)c1C.
What is the InChIKey of N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is DQYNPGBKOOLUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-5-14-19-15(11(4)16(20-14)18-6-2)12-8-7-10(3)13(17)9-12/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine?
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 273.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 115502727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).