2-(2-adamantyl)pyrimidine

C14H18N2 — CID 67248679

IUPAC2-(2-adamantyl)pyrimidine
SMILESc1cnc(C2C3CC4CC(C3)CC2C4)nc1
InChIInChI=1S/C14H18N2/c1-2-15-14(16-3-1)13-11-5-9-4-10(7-11)8-12(13)6-9/h1-3,9-13H,4-8H2
InChIKeySLVQDYZDRMMDKW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.02
Rot. Bonds1

About 2-(2-adamantyl)pyrimidine

2-(2-adamantyl)pyrimidine (PubChem CID 67248679) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-adamantyl)pyrimidine.

Molecular Properties

Compound Name2-(2-adamantyl)pyrimidine
PubChem CID67248679
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2-adamantyl)pyrimidine
SMILESc1cnc(C2C3CC4CC(C3)CC2C4)nc1
InChIInChI=1S/C14H18N2/c1-2-15-14(16-3-1)13-11-5-9-4-10(7-11)8-12(13)6-9/h1-3,9-13H,4-8H2
InChIKeySLVQDYZDRMMDKW-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)pyrimidine?
The IUPAC name of 2-(2-adamantyl)pyrimidine (CID 67248679) is 2-(2-adamantyl)pyrimidine.
What is the SMILES notation for 2-(2-adamantyl)pyrimidine?
The canonical SMILES for 2-(2-adamantyl)pyrimidine is c1cnc(C2C3CC4CC(C3)CC2C4)nc1.
What is the InChIKey of 2-(2-adamantyl)pyrimidine?
The InChIKey is SLVQDYZDRMMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-15-14(16-3-1)13-11-5-9-4-10(7-11)8-12(13)6-9/h1-3,9-13H,4-8H2.
What are the key properties of 2-(2-adamantyl)pyrimidine?
2-(2-adamantyl)pyrimidine has a molecular weight of 214.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)pyrimidine is sourced from PubChem (CID 67248679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).