4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine

C15H26N4 — CID 143645708

IUPAC4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine
SMILESC=C(C)N(CCCCCC)c1ncnc(NC)c1C
InChIInChI=1S/C15H26N4/c1-6-7-8-9-10-19(12(2)3)15-13(4)14(16-5)17-11-18-15/h11H,2,6-10H2,1,3-5H3,(H,16,17,18)
InChIKeyIZHNDUHYSGVIHG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.75
Rot. Bonds8

About 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine

4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine (PubChem CID 143645708) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine
PubChem CID143645708
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine
SMILESC=C(C)N(CCCCCC)c1ncnc(NC)c1C
InChIInChI=1S/C15H26N4/c1-6-7-8-9-10-19(12(2)3)15-13(4)14(16-5)17-11-18-15/h11H,2,6-10H2,1,3-5H3,(H,16,17,18)
InChIKeyIZHNDUHYSGVIHG-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
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 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine (CID 143645708) is 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine is C=C(C)N(CCCCCC)c1ncnc(NC)c1C.
What is the InChIKey of 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine?
The InChIKey is IZHNDUHYSGVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-6-7-8-9-10-19(12(2)3)15-13(4)14(16-5)17-11-18-15/h11H,2,6-10H2,1,3-5H3,(H,16,17,18).
What are the key properties of 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine?
4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 143645708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).