4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine

C13H23N3OS — CID 114127734

IUPAC4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCCCCSC)n1
InChIInChI=1S/C13H23N3OS/c1-4-17-12-10-11(2)15-13(16-12)14-8-6-5-7-9-18-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyBBEWSAWNDGCKFS-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.13
Rot. Bonds9

About 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine (PubChem CID 114127734) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
PubChem CID114127734
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCCCCSC)n1
InChIInChI=1S/C13H23N3OS/c1-4-17-12-10-11(2)15-13(16-12)14-8-6-5-7-9-18-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyBBEWSAWNDGCKFS-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine (CID 114127734) is 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine is CCOc1cc(C)nc(NCCCCCSC)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
The InChIKey is BBEWSAWNDGCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-17-12-10-11(2)15-13(16-12)14-8-6-5-7-9-18-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine is sourced from PubChem (CID 114127734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).