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

C10H18Cl2N4 — CID 21433271

IUPAC6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride
SMILESCCCCCCNc1cc(Cl)nc(N)n1.Cl
InChIInChI=1S/C10H17ClN4.ClH/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);1H
InChIKeyXXYLZJHETNQBBK-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.13
Rot. Bonds6

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

6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 21433271) has the molecular formula C10H18Cl2N4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride
PubChem CID21433271
Molecular FormulaC10H18Cl2N4
Molecular Weight265.19 g/mol
Exact Mass264.09
IUPAC Name6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride
SMILESCCCCCCNc1cc(Cl)nc(N)n1.Cl
InChIInChI=1S/C10H17ClN4.ClH/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);1H
InChIKeyXXYLZJHETNQBBK-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.13
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;hydrochloride?
The IUPAC name of 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride (CID 21433271) is 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride is CCCCCCNc1cc(Cl)nc(N)n1.Cl.
What is the InChIKey of 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is XXYLZJHETNQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4.ClH/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);1H.
What are the key properties of 6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride?
6-chloro-4-N-hexylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 265.19 g/mol, XLogP of 3.13, 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;hydrochloride is sourced from PubChem (CID 21433271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).