1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine

C16H23N3 — CID 55120680

IUPAC1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C16H23N3/c1-17-8-14-9-18-15(19-10-14)16-5-11-2-12(6-16)4-13(3-11)7-16/h9-13,17H,2-8H2,1H3
InChIKeyROQNNTUHVPCOPF-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 55120680) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID55120680
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C16H23N3/c1-17-8-14-9-18-15(19-10-14)16-5-11-2-12(6-16)4-13(3-11)7-16/h9-13,17H,2-8H2,1H3
InChIKeyROQNNTUHVPCOPF-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine (CID 55120680) is 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(C23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is ROQNNTUHVPCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-8-14-9-18-15(19-10-14)16-5-11-2-12(6-16)4-13(3-11)7-16/h9-13,17H,2-8H2,1H3.
What are the key properties of 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 55120680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).