4-(1-adamantyl)pyrimidine

C14H18N2 — CID 13446532

IUPAC4-(1-adamantyl)pyrimidine
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)ncn1
InChIInChI=1S/C14H18N2/c1-2-15-9-16-13(1)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2
InChIKeyFOVWNRCOGHLHCW-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.94
Rot. Bonds1

About 4-(1-adamantyl)pyrimidine

4-(1-adamantyl)pyrimidine (PubChem CID 13446532) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(1-adamantyl)pyrimidine.

Molecular Properties

Compound Name4-(1-adamantyl)pyrimidine
PubChem CID13446532
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(1-adamantyl)pyrimidine
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)ncn1
InChIInChI=1S/C14H18N2/c1-2-15-9-16-13(1)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2
InChIKeyFOVWNRCOGHLHCW-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 4-(1-adamantyl)pyrimidine?
The IUPAC name of 4-(1-adamantyl)pyrimidine (CID 13446532) is 4-(1-adamantyl)pyrimidine.
What is the SMILES notation for 4-(1-adamantyl)pyrimidine?
The canonical SMILES for 4-(1-adamantyl)pyrimidine is c1cc(C23CC4CC(CC(C4)C2)C3)ncn1.
What is the InChIKey of 4-(1-adamantyl)pyrimidine?
The InChIKey is FOVWNRCOGHLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-15-9-16-13(1)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2.
What are the key properties of 4-(1-adamantyl)pyrimidine?
4-(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 4-(1-adamantyl)pyrimidine is sourced from PubChem (CID 13446532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).