5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine

C12H20FN3S — CID 113413399

IUPAC5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
SMILESCSCCCCCCNc1ncnc(C)c1F
InChIInChI=1S/C12H20FN3S/c1-10-11(13)12(16-9-15-10)14-7-5-3-4-6-8-17-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyNSOSJFLTWIHGRX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.26
Rot. Bonds8

About 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine (PubChem CID 113413399) has the molecular formula C12H20FN3S and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
PubChem CID113413399
Molecular FormulaC12H20FN3S
Molecular Weight257.38 g/mol
Exact Mass257.14
IUPAC Name5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
SMILESCSCCCCCCNc1ncnc(C)c1F
InChIInChI=1S/C12H20FN3S/c1-10-11(13)12(16-9-15-10)14-7-5-3-4-6-8-17-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyNSOSJFLTWIHGRX-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.26
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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Related Compounds

5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678
N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 106154753
4-N-(5-methylsulfanylpentyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114129044
5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
CID 104925521
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
5-fluoro-2-N-methyl-4-N-(6-methylsulfanylhexyl)pyrimidine-2,4-diamine
CID 114126675
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
3-methyl-N-(5-methylsulfanylpentyl)quinoxalin-2-amine
CID 104925450
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
4-methyl-N-(5-methylsulfanylpentyl)phthalazin-1-amine
CID 104925473
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine (CID 113413399) is 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine is CSCCCCCCNc1ncnc(C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine?
The InChIKey is NSOSJFLTWIHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3S/c1-10-11(13)12(16-9-15-10)14-7-5-3-4-6-8-17-2/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine is sourced from PubChem (CID 113413399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).