2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

C11H13N5O2S — CID 57017014

IUPAC2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
SMILESCSc1cnc(OCCOc2nccc(N)n2)nc1
InChIInChI=1S/C11H13N5O2S/c1-19-8-6-14-10(15-7-8)17-4-5-18-11-13-3-2-9(12)16-11/h2-3,6-7H,4-5H2,1H3,(H2,12,13,16)
InChIKeyANIUFVUENYHNEH-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (PubChem CID 57017014) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
PubChem CID57017014
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
SMILESCSc1cnc(OCCOc2nccc(N)n2)nc1
InChIInChI=1S/C11H13N5O2S/c1-19-8-6-14-10(15-7-8)17-4-5-18-11-13-3-2-9(12)16-11/h2-3,6-7H,4-5H2,1H3,(H2,12,13,16)
InChIKeyANIUFVUENYHNEH-UHFFFAOYSA-N
XLogP1.03
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 116798022
2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 116798007
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 116798000
O-(4-aminopyrimidin-2-yl)hydroxylamine
CID 138667214
ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine
CID 166473497
5-(4-chlorophenyl)-4-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine-2-carboxamide
CID 173179387
2-[(4-butylphenyl)methoxy]pyrimidin-4-amine
CID 142608819
2-(methoxymethyl)pyrimidin-4-amine
CID 161338001
2-(2-pyrimidin-2-yloxyethoxy)pyrimidine
CID 172699862
2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
CID 116797544
5-(2-chloro-5-methoxyphenoxy)-4-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine-2-carboxamide
CID 173158685
2-(2-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 107662449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The IUPAC name of 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (CID 57017014) is 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is CSc1cnc(OCCOc2nccc(N)n2)nc1.
What is the InChIKey of 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The InChIKey is ANIUFVUENYHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-19-8-6-14-10(15-7-8)17-4-5-18-11-13-3-2-9(12)16-11/h2-3,6-7H,4-5H2,1H3,(H2,12,13,16).
What are the key properties of 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine has a molecular weight of 279.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is sourced from PubChem (CID 57017014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).