4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine

C15H27N5 — CID 22540380

IUPAC4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
SMILESCC(C)(C)Nc1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C15H27N5/c1-15(2,3)20-14-12(16)13(17-10-18-14)19-11-8-6-4-5-7-9-11/h10-11H,4-9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGKRNAPRABHLYNF-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.40
Rot. Bonds3

About 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine

4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine (PubChem CID 22540380) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
PubChem CID22540380
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
SMILESCC(C)(C)Nc1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C15H27N5/c1-15(2,3)20-14-12(16)13(17-10-18-14)19-11-8-6-4-5-7-9-11/h10-11H,4-9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGKRNAPRABHLYNF-UHFFFAOYSA-N
XLogP3.40
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine (CID 22540380) is 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine is CC(C)(C)Nc1ncnc(NC2CCCCCC2)c1N.
What is the InChIKey of 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine?
The InChIKey is GKRNAPRABHLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-15(2,3)20-14-12(16)13(17-10-18-14)19-11-8-6-4-5-7-9-11/h10-11H,4-9,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine?
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine has a molecular weight of 277.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).