N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

C15H20N6 — CID 651364

IUPACN-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2C3CC4CC(C3)CC2C4)n2nnnc2n1
InChIInChI=1S/C15H20N6/c1-8-2-13(21-15(16-8)18-19-20-21)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14,17H,3-7H2,1H3
InChIKeyPGHXOAVUPHSEJO-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.06
Rot. Bonds2

About N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 651364) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
PubChem CID651364
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2C3CC4CC(C3)CC2C4)n2nnnc2n1
InChIInChI=1S/C15H20N6/c1-8-2-13(21-15(16-8)18-19-20-21)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14,17H,3-7H2,1H3
InChIKeyPGHXOAVUPHSEJO-UHFFFAOYSA-N
XLogP2.06
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (CID 651364) is N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2C3CC4CC(C3)CC2C4)n2nnnc2n1.
What is the InChIKey of N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PGHXOAVUPHSEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-8-2-13(21-15(16-8)18-19-20-21)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14,17H,3-7H2,1H3.
What are the key properties of N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 284.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 651364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).