6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine

C17H22FN3O — CID 133419789

IUPAC6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)(C)Cc2ccccc2OC)c1F
InChIInChI=1S/C17H22FN3O/c1-5-13-15(18)16(20-11-19-13)21-17(2,3)10-12-8-6-7-9-14(12)22-4/h6-9,11H,5,10H2,1-4H3,(H,19,20,21)
InChIKeyBXLLLRAPGQBATJ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.62
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine (PubChem CID 133419789) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine
PubChem CID133419789
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)(C)Cc2ccccc2OC)c1F
InChIInChI=1S/C17H22FN3O/c1-5-13-15(18)16(20-11-19-13)21-17(2,3)10-12-8-6-7-9-14(12)22-4/h6-9,11H,5,10H2,1-4H3,(H,19,20,21)
InChIKeyBXLLLRAPGQBATJ-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133419788
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 114045488
N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133432283
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
CID 65237014

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine (CID 133419789) is 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine is CCc1ncnc(NC(C)(C)Cc2ccccc2OC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine?
The InChIKey is BXLLLRAPGQBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-5-13-15(18)16(20-11-19-13)21-17(2,3)10-12-8-6-7-9-14(12)22-4/h6-9,11H,5,10H2,1-4H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine has a molecular weight of 303.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 133419789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).