N-(2-adamantyl)pyrimidin-2-amine

C14H19N3 — CID 654626

IUPACN-(2-adamantyl)pyrimidin-2-amine
SMILESc1cnc(NC2C3CC4CC(C3)CC2C4)nc1
InChIInChI=1S/C14H19N3/c1-2-15-14(16-3-1)17-13-11-5-9-4-10(7-11)8-12(13)6-9/h1-3,9-13H,4-8H2,(H,15,16,17)
InChIKeyNBZILZXGZSMHFY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.71
Rot. Bonds2

About N-(2-adamantyl)pyrimidin-2-amine

N-(2-adamantyl)pyrimidin-2-amine (PubChem CID 654626) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2-adamantyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-adamantyl)pyrimidin-2-amine
PubChem CID654626
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2-adamantyl)pyrimidin-2-amine
SMILESc1cnc(NC2C3CC4CC(C3)CC2C4)nc1
InChIInChI=1S/C14H19N3/c1-2-15-14(16-3-1)17-13-11-5-9-4-10(7-11)8-12(13)6-9/h1-3,9-13H,4-8H2,(H,15,16,17)
InChIKeyNBZILZXGZSMHFY-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)pyrimidin-2-amine?
The IUPAC name of N-(2-adamantyl)pyrimidin-2-amine (CID 654626) is N-(2-adamantyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-adamantyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-adamantyl)pyrimidin-2-amine is c1cnc(NC2C3CC4CC(C3)CC2C4)nc1.
What is the InChIKey of N-(2-adamantyl)pyrimidin-2-amine?
The InChIKey is NBZILZXGZSMHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-15-14(16-3-1)17-13-11-5-9-4-10(7-11)8-12(13)6-9/h1-3,9-13H,4-8H2,(H,15,16,17).
What are the key properties of N-(2-adamantyl)pyrimidin-2-amine?
N-(2-adamantyl)pyrimidin-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)pyrimidin-2-amine is sourced from PubChem (CID 654626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).