6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine

C16H21FN4 — CID 133419084

IUPAC6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCC(c2cccnc2)C(C)C)c1F
InChIInChI=1S/C16H21FN4/c1-4-14-15(17)16(21-10-20-14)19-9-13(11(2)3)12-6-5-7-18-8-12/h5-8,10-11,13H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyNSLQLBWIXGQJJK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.42
Rot. Bonds6

About 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine (PubChem CID 133419084) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine
PubChem CID133419084
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCC(c2cccnc2)C(C)C)c1F
InChIInChI=1S/C16H21FN4/c1-4-14-15(17)16(21-10-20-14)19-9-13(11(2)3)12-6-5-7-18-8-12/h5-8,10-11,13H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyNSLQLBWIXGQJJK-UHFFFAOYSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133421659
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 111911260
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061059
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
6-ethyl-5-fluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 113344408
6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine
CID 86789293
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine
CID 13342996

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine (CID 133419084) is 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine is CCc1ncnc(NCC(c2cccnc2)C(C)C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine?
The InChIKey is NSLQLBWIXGQJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-14-15(17)16(21-10-20-14)19-9-13(11(2)3)12-6-5-7-18-8-12/h5-8,10-11,13H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine has a molecular weight of 288.37 g/mol, XLogP of 3.42, 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-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 133419084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).