2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine

C11H19N3S — CID 107765529

IUPAC2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(SC(C)C(C)C)n1
InChIInChI=1S/C11H19N3S/c1-5-10-13-9(12)6-11(14-10)15-8(4)7(2)3/h6-8H,5H2,1-4H3,(H2,12,13,14)
InChIKeyPUXAQGFDJDUNEU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.76
Rot. Bonds4

About 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine

2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 107765529) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID107765529
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(SC(C)C(C)C)n1
InChIInChI=1S/C11H19N3S/c1-5-10-13-9(12)6-11(14-10)15-8(4)7(2)3/h6-8H,5H2,1-4H3,(H2,12,13,14)
InChIKeyPUXAQGFDJDUNEU-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107765563
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine
CID 107765461
6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107765534
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933289
4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 103704895
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772733
3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 113401747
methyl 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanylacetate
CID 80937418
2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine
CID 107747818

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine (CID 107765529) is 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine is CCc1nc(N)cc(SC(C)C(C)C)n1.
What is the InChIKey of 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is PUXAQGFDJDUNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-10-13-9(12)6-11(14-10)15-8(4)7(2)3/h6-8H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine?
2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 107765529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).