6-butoxypyrimidine-2,4,5-triamine

C8H15N5O — CID 14479622

IUPAC6-butoxypyrimidine-2,4,5-triamine
SMILESCCCCOc1nc(N)nc(N)c1N
InChIInChI=1S/C8H15N5O/c1-2-3-4-14-7-5(9)6(10)12-8(11)13-7/h2-4,9H2,1H3,(H4,10,11,12,13)
InChIKeyYJPPPLCDLDGFGW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.40
Rot. Bonds4

About 6-butoxypyrimidine-2,4,5-triamine

6-butoxypyrimidine-2,4,5-triamine (PubChem CID 14479622) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-butoxypyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-butoxypyrimidine-2,4,5-triamine
PubChem CID14479622
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name6-butoxypyrimidine-2,4,5-triamine
SMILESCCCCOc1nc(N)nc(N)c1N
InChIInChI=1S/C8H15N5O/c1-2-3-4-14-7-5(9)6(10)12-8(11)13-7/h2-4,9H2,1H3,(H4,10,11,12,13)
InChIKeyYJPPPLCDLDGFGW-UHFFFAOYSA-N
XLogP0.40
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 5329581
CID 5329581
CID 5329597
CID 5329597
CID 29919572
CID 29919572
CID 10419563
CID 10419563
CID 14595821
CID 14595821
CID 5329579
CID 5329579
CID 5329580
CID 5329580
CID 12517703
CID 12517703
CID 23849787
CID 23849787
CID 12350063
CID 12350063
CID 13541420
CID 13541420
CID 25198472
CID 25198472

Frequently Asked Questions

What is the IUPAC name of 6-butoxypyrimidine-2,4,5-triamine?
The IUPAC name of 6-butoxypyrimidine-2,4,5-triamine (CID 14479622) is 6-butoxypyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-butoxypyrimidine-2,4,5-triamine?
The canonical SMILES for 6-butoxypyrimidine-2,4,5-triamine is CCCCOc1nc(N)nc(N)c1N.
What is the InChIKey of 6-butoxypyrimidine-2,4,5-triamine?
The InChIKey is YJPPPLCDLDGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-3-4-14-7-5(9)6(10)12-8(11)13-7/h2-4,9H2,1H3,(H4,10,11,12,13).
What are the key properties of 6-butoxypyrimidine-2,4,5-triamine?
6-butoxypyrimidine-2,4,5-triamine has a molecular weight of 197.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxypyrimidine-2,4,5-triamine is sourced from PubChem (CID 14479622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).