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

C11H15N5S — CID 80888515

IUPAC5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1nccn1C
InChIInChI=1S/C11H15N5S/c1-4-8-9(12-2)14-7-15-10(8)17-11-13-5-6-16(11)3/h5-7H,4H2,1-3H3,(H,12,14,15)
InChIKeyDHBPHOTTWJWYJQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.97
Rot. Bonds4

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

5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80888515) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80888515
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1nccn1C
InChIInChI=1S/C11H15N5S/c1-4-8-9(12-2)14-7-15-10(8)17-11-13-5-6-16(11)3/h5-7H,4H2,1-3H3,(H,12,14,15)
InChIKeyDHBPHOTTWJWYJQ-UHFFFAOYSA-N
XLogP1.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
6-(1-methylimidazol-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80886693

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine (CID 80888515) is 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine is CCc1c(NC)ncnc1Sc1nccn1C.
What is the InChIKey of 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is DHBPHOTTWJWYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-4-8-9(12-2)14-7-15-10(8)17-11-13-5-6-16(11)3/h5-7H,4H2,1-3H3,(H,12,14,15).
What are the key properties of 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine?
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).