N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine

C16H20FN3 — CID 80946069

IUPACN-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H20FN3/c1-4-6-15-19-14(10-16(20-15)18-5-2)12-7-8-13(17)11(3)9-12/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyBLPNUOGUAPNGNS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.98
Rot. Bonds5

About N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine

N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine (PubChem CID 80946069) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
PubChem CID80946069
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H20FN3/c1-4-6-15-19-14(10-16(20-15)18-5-2)12-7-8-13(17)11(3)9-12/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyBLPNUOGUAPNGNS-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
CID 82804327
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 80939393
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine (CID 80946069) is N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(-c2ccc(F)c(C)c2)n1.
What is the InChIKey of N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine?
The InChIKey is BLPNUOGUAPNGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-6-15-19-14(10-16(20-15)18-5-2)12-7-8-13(17)11(3)9-12/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine?
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 3.98, 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-3-methylphenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).