2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine

C15H23N5S — CID 80990667

IUPAC2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(Sc2nccn2C)c1C
InChIInChI=1S/C15H23N5S/c1-7-16-11-10(2)12(19-13(18-11)15(3,4)5)21-14-17-8-9-20(14)6/h8-9H,7H2,1-6H3,(H,16,18,19)
InChIKeyXYNXBISYMYDBAY-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.40
Rot. Bonds4

About 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine

2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80990667) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80990667
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(Sc2nccn2C)c1C
InChIInChI=1S/C15H23N5S/c1-7-16-11-10(2)12(19-13(18-11)15(3,4)5)21-14-17-8-9-20(14)6/h8-9H,7H2,1-6H3,(H,16,18,19)
InChIKeyXYNXBISYMYDBAY-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80990773
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 80991880
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 107785070
2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104604881
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80989793
N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine
CID 78990307
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine (CID 80990667) is 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(Sc2nccn2C)c1C.
What is the InChIKey of 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is XYNXBISYMYDBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-7-16-11-10(2)12(19-13(18-11)15(3,4)5)21-14-17-8-9-20(14)6/h8-9H,7H2,1-6H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80990667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).