N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine

C17H30FN3 — CID 18735767

IUPACN-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine
SMILESCCc1nc(N(CCC(C)(C)C)C(CC)CC)ncc1F
InChIInChI=1S/C17H30FN3/c1-7-13(8-2)21(11-10-17(4,5)6)16-19-12-14(18)15(9-3)20-16/h12-13H,7-11H2,1-6H3
InChIKeyCSSJLKXLIPABSB-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.61
Rot. Bonds7

About N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine

N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine (PubChem CID 18735767) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine
PubChem CID18735767
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC NameN-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine
SMILESCCc1nc(N(CCC(C)(C)C)C(CC)CC)ncc1F
InChIInChI=1S/C17H30FN3/c1-7-13(8-2)21(11-10-17(4,5)6)16-19-12-14(18)15(9-3)20-16/h12-13H,7-11H2,1-6H3
InChIKeyCSSJLKXLIPABSB-UHFFFAOYSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine (CID 18735767) is N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine is CCc1nc(N(CCC(C)(C)C)C(CC)CC)ncc1F.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine?
The InChIKey is CSSJLKXLIPABSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3/c1-7-13(8-2)21(11-10-17(4,5)6)16-19-12-14(18)15(9-3)20-16/h12-13H,7-11H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine?
N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine has a molecular weight of 295.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-ethyl-5-fluoro-N-pentan-3-ylpyrimidin-2-amine is sourced from PubChem (CID 18735767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).