6-chloro-4-N-hexylpyrimidine-2,4-diamine

C10H17ClN4 — CID 11183788

IUPAC6-chloro-4-N-hexylpyrimidine-2,4-diamine
SMILESCCCCCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4/c1-2-3-4-5-6-13-9-7-8(11)14-10(12)15-9/h7H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyHJYAXTKUKFJWBB-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.70
Rot. Bonds6

About 6-chloro-4-N-hexylpyrimidine-2,4-diamine

6-chloro-4-N-hexylpyrimidine-2,4-diamine (PubChem CID 11183788) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-4-N-hexylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-hexylpyrimidine-2,4-diamine
PubChem CID11183788
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-4-N-hexylpyrimidine-2,4-diamine
SMILESCCCCCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4/c1-2-3-4-5-6-13-9-7-8(11)14-10(12)15-9/h7H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyHJYAXTKUKFJWBB-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-4-N-hexylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-hexylpyrimidine-2,4-diamine (CID 11183788) is 6-chloro-4-N-hexylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-hexylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-hexylpyrimidine-2,4-diamine is CCCCCCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-hexylpyrimidine-2,4-diamine?
The InChIKey is HJYAXTKUKFJWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-2-3-4-5-6-13-9-7-8(11)14-10(12)15-9/h7H,2-6H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-chloro-4-N-hexylpyrimidine-2,4-diamine?
6-chloro-4-N-hexylpyrimidine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-hexylpyrimidine-2,4-diamine is sourced from PubChem (CID 11183788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).