N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine

C17H22FN3 — CID 80977618

IUPACN-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H22FN3/c1-5-7-15-20-16(12(4)17(21-15)19-6-2)14-9-8-13(18)10-11(14)3/h8-10H,5-7H2,1-4H3,(H,19,20,21)
InChIKeyRFYPFEYBTCRGTF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.28
Rot. Bonds5

About N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine

N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80977618) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80977618
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H22FN3/c1-5-7-15-20-16(12(4)17(21-15)19-6-2)14-9-8-13(18)10-11(14)3/h8-10H,5-7H2,1-4H3,(H,19,20,21)
InChIKeyRFYPFEYBTCRGTF-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523
4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 81272931
6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977253
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 115502727
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428
5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
CID 80974727

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80977618) is N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(-c2ccc(F)cc2C)n1.
What is the InChIKey of N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is RFYPFEYBTCRGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-5-7-15-20-16(12(4)17(21-15)19-6-2)14-9-8-13(18)10-11(14)3/h8-10H,5-7H2,1-4H3,(H,19,20,21).
What are the key properties of N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).