N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine

C17H25N3 — CID 63535938

IUPACN-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC(C)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H25N3/c1-11(19-16-3-4-18-12(2)20-16)17-8-13-5-14(9-17)7-15(6-13)10-17/h3-4,11,13-15H,5-10H2,1-2H3,(H,18,19,20)
InChIKeyRSGUQEBUWGNFOQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.80
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine

N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 63535938) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID63535938
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC(C)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H25N3/c1-11(19-16-3-4-18-12(2)20-16)17-8-13-5-14(9-17)7-15(6-13)10-17/h3-4,11,13-15H,5-10H2,1-2H3,(H,18,19,20)
InChIKeyRSGUQEBUWGNFOQ-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine (CID 63535938) is N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nccc(NC(C)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is RSGUQEBUWGNFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11(19-16-3-4-18-12(2)20-16)17-8-13-5-14(9-17)7-15(6-13)10-17/h3-4,11,13-15H,5-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine?
N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 63535938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).