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

C16H23N3 — CID 62796752

IUPAC2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)nc(N)c1C
InChIInChI=1S/C16H23N3/c1-9-10(2)18-15(19-14(9)17)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyZMVVZYMQMWIPIU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.14
Rot. Bonds1

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

2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 62796752) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID62796752
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)nc(N)c1C
InChIInChI=1S/C16H23N3/c1-9-10(2)18-15(19-14(9)17)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyZMVVZYMQMWIPIU-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine (CID 62796752) is 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine is Cc1nc(C23CC4CC(CC(C4)C2)C3)nc(N)c1C.
What is the InChIKey of 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is ZMVVZYMQMWIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-9-10(2)18-15(19-14(9)17)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine?
2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62796752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).