4-N-(1-adamantyl)pyrimidine-2,4,6-triamine

C14H21N5 — CID 80767917

IUPAC4-N-(1-adamantyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(NC23CC4CC(CC(C4)C2)C3)nc(N)n1
InChIInChI=1S/C14H21N5/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H5,15,16,17,18,19)
InChIKeyHKFAXDLYWJQYMY-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.02
Rot. Bonds2

About 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine

4-N-(1-adamantyl)pyrimidine-2,4,6-triamine (PubChem CID 80767917) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-adamantyl)pyrimidine-2,4,6-triamine
PubChem CID80767917
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-N-(1-adamantyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(NC23CC4CC(CC(C4)C2)C3)nc(N)n1
InChIInChI=1S/C14H21N5/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H5,15,16,17,18,19)
InChIKeyHKFAXDLYWJQYMY-UHFFFAOYSA-N
XLogP2.02
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine (CID 80767917) is 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine is Nc1cc(NC23CC4CC(CC(C4)C2)C3)nc(N)n1.
What is the InChIKey of 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine?
The InChIKey is HKFAXDLYWJQYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H5,15,16,17,18,19).
What are the key properties of 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine?
4-N-(1-adamantyl)pyrimidine-2,4,6-triamine has a molecular weight of 259.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80767917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).