4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine

C10H17N3OS — CID 112637746

IUPAC4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCSC)n1
InChIInChI=1S/C10H17N3OS/c1-4-14-9-7-8(2)12-10(13-9)11-5-6-15-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyBZDVHSQCRCFLFE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.96
Rot. Bonds6

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

4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine (PubChem CID 112637746) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
PubChem CID112637746
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCSC)n1
InChIInChI=1S/C10H17N3OS/c1-4-14-9-7-8(2)12-10(13-9)11-5-6-15-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyBZDVHSQCRCFLFE-UHFFFAOYSA-N
XLogP1.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.96
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-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 114127734
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
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
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 106325959
4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489048
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 103007614

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine (CID 112637746) is 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine is CCOc1cc(C)nc(NCCSC)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine?
The InChIKey is BZDVHSQCRCFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-14-9-7-8(2)12-10(13-9)11-5-6-15-3/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.96, 6 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-(2-methylsulfanylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112637746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).