2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine

C15H21N3OS — CID 80991282

IUPAC2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(SCc2ccco2)c1C
InChIInChI=1S/C15H21N3OS/c1-10-12(16-5)17-14(15(2,3)4)18-13(10)20-9-11-7-6-8-19-11/h6-8H,9H2,1-5H3,(H,16,17,18)
InChIKeyGDURKTUGTGTZJT-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.01
Rot. Bonds4

About 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80991282) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80991282
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(SCc2ccco2)c1C
InChIInChI=1S/C15H21N3OS/c1-10-12(16-5)17-14(15(2,3)4)18-13(10)20-9-11-7-6-8-19-11/h6-8H,9H2,1-5H3,(H,16,17,18)
InChIKeyGDURKTUGTGTZJT-UHFFFAOYSA-N
XLogP4.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
CID 102761283
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80991069
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80980729
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 107785070

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine (CID 80991282) is 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(SCc2ccco2)c1C.
What is the InChIKey of 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is GDURKTUGTGTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-12(16-5)17-14(15(2,3)4)18-13(10)20-9-11-7-6-8-19-11/h6-8H,9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).