2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine

C16H30N4 — CID 115327725

IUPAC2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCCCC(C)C)c1C
InChIInChI=1S/C16H30N4/c1-6-10-17-15-13(4)16(20-14(5)19-15)18-11-8-7-9-12(2)3/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyMFQYCUVFVSIQIS-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.15
Rot. Bonds9

About 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 115327725) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID115327725
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCCCC(C)C)c1C
InChIInChI=1S/C16H30N4/c1-6-10-17-15-13(4)16(20-14(5)19-15)18-11-8-7-9-12(2)3/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyMFQYCUVFVSIQIS-UHFFFAOYSA-N
XLogP4.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.15
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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Related Compounds

6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80785196

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine (CID 115327725) is 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCCCCC(C)C)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MFQYCUVFVSIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-10-17-15-13(4)16(20-14(5)19-15)18-11-8-7-9-12(2)3/h12H,6-11H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 115327725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).