6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine

C15H26N4O — CID 82456312

IUPAC6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(C2CC2)nc(NC(C)(C)C)c1N
InChIInChI=1S/C15H26N4O/c1-5-6-9-20-14-11(16)13(19-15(2,3)4)17-12(18-14)10-7-8-10/h10H,5-9,16H2,1-4H3,(H,17,18,19)
InChIKeyTYUSPTYFOZPXDO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.33
Rot. Bonds6

About 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine

6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine (PubChem CID 82456312) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
PubChem CID82456312
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(C2CC2)nc(NC(C)(C)C)c1N
InChIInChI=1S/C15H26N4O/c1-5-6-9-20-14-11(16)13(19-15(2,3)4)17-12(18-14)10-7-8-10/h10H,5-9,16H2,1-4H3,(H,17,18,19)
InChIKeyTYUSPTYFOZPXDO-UHFFFAOYSA-N
XLogP3.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine (CID 82456312) is 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine is CCCCOc1nc(C2CC2)nc(NC(C)(C)C)c1N.
What is the InChIKey of 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine?
The InChIKey is TYUSPTYFOZPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-9-20-14-11(16)13(19-15(2,3)4)17-12(18-14)10-7-8-10/h10H,5-9,16H2,1-4H3,(H,17,18,19).
What are the key properties of 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine?
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).