2-(1-adamantyl)pyrimidine

C14H18N2 — CID 10775014

IUPAC2-(1-adamantyl)pyrimidine
SMILESc1cnc(C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C14H18N2/c1-2-15-13(16-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2
InChIKeyRKCPWZGRWXKGPW-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.94
Rot. Bonds1

About 2-(1-adamantyl)pyrimidine

2-(1-adamantyl)pyrimidine (PubChem CID 10775014) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(1-adamantyl)pyrimidine.

Molecular Properties

Compound Name2-(1-adamantyl)pyrimidine
PubChem CID10775014
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(1-adamantyl)pyrimidine
SMILESc1cnc(C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C14H18N2/c1-2-15-13(16-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2
InChIKeyRKCPWZGRWXKGPW-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)pyrimidine?
The IUPAC name of 2-(1-adamantyl)pyrimidine (CID 10775014) is 2-(1-adamantyl)pyrimidine.
What is the SMILES notation for 2-(1-adamantyl)pyrimidine?
The canonical SMILES for 2-(1-adamantyl)pyrimidine is c1cnc(C23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 2-(1-adamantyl)pyrimidine?
The InChIKey is RKCPWZGRWXKGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-15-13(16-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2.
What are the key properties of 2-(1-adamantyl)pyrimidine?
2-(1-adamantyl)pyrimidine has a molecular weight of 214.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)pyrimidine is sourced from PubChem (CID 10775014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).