6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C12H21N3S — CID 80991295

IUPAC6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)Sc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H21N3S/c1-6-8(4)16-12-9(5)10(13)14-11(15-12)7(2)3/h7-8H,6H2,1-5H3,(H2,13,14,15)
InChIKeyDRCFIARGUAOBOK-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.38
Rot. Bonds4

About 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80991295) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80991295
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)Sc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H21N3S/c1-6-8(4)16-12-9(5)10(13)14-11(15-12)7(2)3/h7-8H,6H2,1-5H3,(H2,13,14,15)
InChIKeyDRCFIARGUAOBOK-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol
CID 80989787
5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991093
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
(6-butan-2-ylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925464
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989543
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 80991169
5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80977319

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80991295) is 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCC(C)Sc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DRCFIARGUAOBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-6-8(4)16-12-9(5)10(13)14-11(15-12)7(2)3/h7-8H,6H2,1-5H3,(H2,13,14,15).
What are the key properties of 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80991295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).