2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

C16H22FN3 — CID 66000783

IUPAC2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C23CC4CC(CC(C4)C2)C3)nc(C)c1F
InChIInChI=1S/C16H22FN3/c1-9-13(17)14(18-2)20-15(19-9)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyJNNBCLAJIVRQSO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.43
Rot. Bonds2

About 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (PubChem CID 66000783) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
PubChem CID66000783
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C23CC4CC(CC(C4)C2)C3)nc(C)c1F
InChIInChI=1S/C16H22FN3/c1-9-13(17)14(18-2)20-15(19-9)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyJNNBCLAJIVRQSO-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (CID 66000783) is 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is CNc1nc(C23CC4CC(CC(C4)C2)C3)nc(C)c1F.
What is the InChIKey of 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is JNNBCLAJIVRQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-9-13(17)14(18-2)20-15(19-9)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 275.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66000783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).