2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride

C14H27ClN4O — CID 54605516

IUPAC2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride
SMILESCCCCNc1ncc(OCC)c(NCCCC)n1.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-4-7-9-15-13-12(19-6-3)11-17-14(18-13)16-10-8-5-2;/h11H,4-10H2,1-3H3,(H2,15,16,17,18);1H
InChIKeyNPBHYQMQLURHFK-UHFFFAOYSA-N
MW302.85 g/mol
LogP3.72
Rot. Bonds10

About 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride

2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride (PubChem CID 54605516) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride
PubChem CID54605516
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC Name2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride
SMILESCCCCNc1ncc(OCC)c(NCCCC)n1.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-4-7-9-15-13-12(19-6-3)11-17-14(18-13)16-10-8-5-2;/h11H,4-10H2,1-3H3,(H2,15,16,17,18);1H
InChIKeyNPBHYQMQLURHFK-UHFFFAOYSA-N
XLogP3.72
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.72
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 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride (CID 54605516) is 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride is CCCCNc1ncc(OCC)c(NCCCC)n1.Cl.
What is the InChIKey of 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride?
The InChIKey is NPBHYQMQLURHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.ClH/c1-4-7-9-15-13-12(19-6-3)11-17-14(18-13)16-10-8-5-2;/h11H,4-10H2,1-3H3,(H2,15,16,17,18);1H.
What are the key properties of 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride?
2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-5-ethoxypyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 54605516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).