4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine

C16H24N4 — CID 80768385

IUPAC4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H24N4/c1-9-14(17)18-10(2)19-15(9)20-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyLPDKFMNCUIUHBD-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.06
Rot. Bonds2

About 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80768385) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80768385
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H24N4/c1-9-14(17)18-10(2)19-15(9)20-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyLPDKFMNCUIUHBD-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80768385) is 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is LPDKFMNCUIUHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-9-14(17)18-10(2)19-15(9)20-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80768385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).